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CHEBI:190312 - Valenciachrome

ChEBI IDCHEBI:190312
ChEBI NameValenciachrome
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H40O3
Net Charge0
Average Mass412.614
Monoisotopic Mass412.29775
SMILESC/C(=C/C=C/C(C)=C/C=C\C=C(/C)CCCO)C1C=C2C(C)(C)CC(O)CC2(C)O1
InChIInChI=1S/C27H40O3/c1-20(11-7-8-12-21(2)14-10-16-28)13-9-15-22(3)24-17-25-26(4,5)18-23(29)19-27(25,6)30-24/h7-9,11-13,15,17,23-24,28-29H,10,14,16,18-19H2,1-6H3/b8-7-,13-9+,20-11+,21-12+,22-15-
InChIKeySMTGOURXPBLNQN-IOCJBXAWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) intestinal content (NCIT:C189653) MetaboLights (MTBLS4101) Strain: C57BL/6J  [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
Valenciachrome (CHEBI:190312) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
2-[(2Z,4E,6E,8Z,10E)-14-hydroxy-6,11-dimethyltetradeca-2,4,6,8,10-pentaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzouran-6-ol
Manual XrefsDatabases
HMDB0036849HMDB
35014275ChemSpider