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CHEBI:223106 - Cochlate B

ChEBI IDCHEBI:223106
ChEBI NameCochlate B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O6
Net Charge0
Average Mass472.622
Monoisotopic Mass472.28249
SMILESC=C(C)[C@@H]1C[C@@H]2O[C@@]1(CCC(=O)OC)CC1=C2[C@]2(C)CC[C@H]([C@H](C)CCC(=O)O)[C@@]2(C)CC1=O
InChIInChI=1S/C28H40O6/c1-16(2)20-13-22-25-18(14-28(20,34-22)12-10-24(32)33-6)21(29)15-27(5)19(9-11-26(25,27)4)17(3)7-8-23(30)31/h17,19-20,22H,1,7-15H2,2-6H3,(H,30,31)/t17-,19-,20+,22+,26+,27-,28+/m1/s1
InChIKeyVGTTXXNWKFRCEF-RYTWZWMPSA-N
Species of MetaboliteComponentSourceComments
Ganoderma (ncbitaxon:5314) - PubMed (24559087)
ChEBI Ontology
Outgoing Relation(s)
Cochlate B (CHEBI:223106) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(4R)-4-[(1S,3R,6R,7R,12S,13S)-12-(3-methoxy-3-oxopropyl)-3,7-dimethyl-9-oxo-13-prop-1-en-2-yl-15-oxatetracyclo[10.2.1.02,10.03,7]pentadec-2(10)-en-6-yl]pentanoic acid
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78441403ChemSpider