Dataset
Ginsenoside-Rc
Chemical Info
InChI | InChI=1S/C53H90O22/c1-23(2)10-9-14-53(8,75-47-43(67)39(63)37(61)29(72-47)22-68-45-41(65)36(60)28(21-56)69-45)24-11-16-52(7)33(24)25(57)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)73-48-44(40(64)35(59)27(20-55)71-48)74-46-42(66)38(62)34(58)26(19-54)70-46/h10,24-48,54-67H,9,11-22H2,1-8H3 |
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SMILES | C(O1)(C(O)C(C(OC(C8O)OC(CO)C(C8O)O)C1OC(C2(C)C)CCC(C73)(C2CCC3(C)C(C)(C4C(O)C7)CCC4C(CCC=C(C)C)(C)OC(C6O)OC(C(O)C6O)COC(O5)C(O)C(O)C(CO)5)C)O)CO |
InChI Key | JDCPEKQWFDWQLI-UHFFFAOYSA-N |
Molecular Formula | C53H90O22 |
Exact Mass | 1078.592 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-nc/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00107 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T16:35:35.112184 |
MetadataModified | 2024-01-11T16:35:35.292587 |
MetadataPublished | 2016-01-19 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
MTBLC91809 | Metabolights |
91809 | ChEBI |
538586 | eMolecules |
HMDB0034995 | Human Metabolome Database |
LSM-1713 | LINCS |
11021-14-0 | ACToR |
100018 | PubChem |
PD056173 | ProbesDrugs |
60074245 | NMRShiftDB |
The data in this table is sourced from UniChem at EBI. |