Concentricol D (CHEBI:200034)

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CHEBI:200034 - Concentricol D

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ChEBI ID	CHEBI:200034
ChEBI Name	Concentricol D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C32H54O6
Net Charge	0
Average Mass	534.778
Monoisotopic Mass	534.39204
SMILES	CC(=O)OC/C(C)=C/CC[C@]1(C)[C@@H]2CC[C@@](C)(O2)[C@H]1CC/C=C(\C)CCC(O)C(C)(O)CC/C=C(\C)CO
InChI	InChI=1S/C32H54O6/c1-23(15-16-28(35)31(6,36)19-10-12-24(2)21-33)11-8-14-27-30(5,29-17-20-32(27,7)38-29)18-9-13-25(3)22-37-26(4)34/h11-13,27-29,33,35-36H,8-10,14-22H2,1-7H3/b23-11+,24-12+,25-13+/t27-,28?,29-,30-,31?,32+/m0/s1
InChIKey	MIYUGOVPVJJFCL-ZMJUVDRASA-N

Species of Metabolite	Component	Source	Comments
Daldinia concentrica (ncbitaxon:42361)	-	DOI (10.1016/s0031-9422(02)00264-9)

ChEBI Ontology

Outgoing Relation(s)
	Concentricol D (CHEBI:200034) is a triterpenoid (CHEBI:36615)

IUPAC Name
[(E)-5-[(1S,2S,3S,4R)-2,4-dimethyl-3-[(3E,11E)-7,8,13-trihydroxy-4,8,12-trimethyltrideca-3,11-dienyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-2-methylpent-2-enyl] acetate

Manual Xrefs	Databases
78436571	ChemSpider