Dataset

OLIGOMYCIN-A; FD-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP000144 contains the MS mass spectrum of OLIGOMYCIN-A with the InChIkey MNULEGDCPYONBU-MAOZEBSWSA-N.

Chemical Information

molecular Image

InChI	InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26-,27+,28-,29+,30+,31-,32-,33-,34-,35-,36-,38+,40+,41+,42+,44+,45-/m1/s1
SMILES	C(C=1)(OC(C2C)([H])C(C)C(OC2(O3)CCC(C)C3([H])CC(C)O)(CCC([H])(CC)C=CC=CCC(C(O)C(C)(O)C(=O)C(C(O)C(C(C(C(O)C(C1)C)C)=O)C)C)C)[H])=O
InChI Key	MNULEGDCPYONBU-MAOZEBSWSA-N
Molecular Formula	C45H74O11
Exact Mass	790.523 g/mol

Data and Resources

OLIGOMYCIN-AHTML

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Related Molecule ⌄

nfdi4chem-mol29563(Unknown Molecule)

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP000144
Version
Author
Maintainer
Language
MetadataPublished	2016-01-19
Related Molecule	nfdi4chem-mol29563(Unknown Molecule)

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.