Molecule

(3R,4S)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromene-7-carboxylic acid

Chemical Information

10 Related Dataset(s) ⌄

Citrinin; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+

Citrinin; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M-H]-

Citrinin; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+

Citrinin; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M-H]-

Citrinin; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+

Citrinin; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M-H]-

Citrinin; LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+H]+

Citrinin; LC-ESI-ITFT; MS2; CE: 40; R=17500; [M-H]-

Citrinin; LC-ESI-ITFT; MS2; CE: 55; R=17500; [M+H]+

Citrinin; LC-ESI-ITFT; MS2; CE: 55; R=17500; [M-H]-

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol44134
Source
Alternate Name	citrinin 518-75-2 Citriain NSC 186 (3R,4S)-4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid CCRIS 175 HSDB 3473 EINECS 208-257-2 BRN 0088597 3S697X6SNZ NSC-186 CITRININ [HSDB] CITRININ [IARC] (3R,4S)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromene-7-carboxylic acid CITRININ [MI] 3H-2-Benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, (3R-trans)- DTXSID8020333 5-18-09-00061 (Beilstein Handbook Reference) 3,4-Dihydro-8-hydroxy-3,4,5-trimethyl-6H-6-oxobenzo(c)pyran-7-carboxylic acid 3H-2-Benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, (3R,4S)- CITRININ (IARC) 3H-2-Benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo- citrinine CHEBI:48708 DTXCID601031301 (3R,4S)4,6Dihydro8hydroxy3,4,5trimethyl6oxo3H2benzopyran7carboxylic acid (3R,4S)-8-hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-2-benzopyran-7-carboxylic acid 3H2Benzopyran7carboxylic acid, 4,6dihydro8hydroxy3,4,5trimethyl6oxo, (3R,4S) 3H2Benzopyran7carboxylic acid, 4,6dihydro8hydroxy3,4,5trimethyl6oxo, (3Rtrans) rel-(3R,4S)-8-hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-isochromene-7-carboxylic acid (-)-citrinin 4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid NSC186 MFCD00006912 CHEBI:48707 (3R-trans)-4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid Citrinin 100 microg/mL in Acetonitrile (3R,4S)-8-hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-isochromene-7-carboxylic acid UNII-3S697X6SNZ 3H-2-Benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, (3R-trans)- Citrinin (6CI) (3R,4S)-4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid (-)-Citrinin 4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid NSC 186 Citrinin, 98% Spectrum_000451 Spectrum2_000734 Spectrum3_000240 Spectrum4_001804 Spectrum5_000507 BSPBio_001919 KBioGR_002411 KBioSS_000931 SPECTRUM210186 DivK1c_000646 SCHEMBL157775 SPBio_000688 SCHEMBL24312832 HMS502A08 KBio1_000646 KBio2_000931 KBio2_003499 KBio2_006067 KBio3_001419 MSK7220 CBGDIJWINPWWJW-IYSWYEEDSA-N NINDS_000646 HMS1923C05 CCG-39048 HB3839 MSK7220-100A AKOS030254668 FC20467 SDCCGMLS-0066537.P001 IDI1_000646 NCGC00160164-01 NCGC00160164-02 NCGC00160164-03 NCI60_001544 Citrinin solution in Acetonitrile, 100ug/mL ST50405294 E80637 Q420354 SR-05000002496 WLN: T66 CO HV AUT&J D1 E1 G1 IVQ JQ SR-05000002496-1 Citrinin, from Penicillium citrinum, >=98% (HPLC) Q63392265 (4S,3R)-8-hydroxy-3,4,5-trimethyl-6-oxoisochromane-7-carboxylic acid (3R,4S)-6-hydroxy-3,4,5-trimethyl-8-oxo-4,8-dihydro-3H-2-benzopyran-7-carboxylic acid (3R,4S)-8-Hdroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-isochromene-7-carboxylic acid (3R,4S)-8-hydroxy-3,4,5-trimethyl-6-oxo-3,4-dihydroisochromene-7-carboxylic acid 8-Hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-isochromene-7-carboxylic acid # 3H-2-Benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-,(3R,4S)- 3H-2-Benzopyran-7-carboxylic acid,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, (3R-trans)- 4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo, (3R-trans)-3H-2-benzopyran-7-carboxylic acid

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
J2.339.609B	Nikkaji
54680783	PubChem
PD147937	ProbesDrugs
60077644	NMRShiftDB
The data in this table is sourced from UniChem at EBI.