7,13,14-trihydroxy-4-cadinen-15-oic acid methyl ester (CHEBI:218756)

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CHEBI:218756 - 7,13,14-trihydroxy-4-cadinen-15-oic acid methyl ester

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ChEBI ID	CHEBI:218756
ChEBI Name	7,13,14-trihydroxy-4-cadinen-15-oic acid methyl ester
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C16H26O5
Net Charge	0
Average Mass	298.379
Monoisotopic Mass	298.17802
SMILES	COC(=O)C1=CC2C(CC1)[C@](O)(CO)CC[C@H]2[C@H](C)CO
InChI	InChI=1S/C16H26O5/c1-10(8-17)12-5-6-16(20,9-18)14-4-3-11(7-13(12)14)15(19)21-2/h7,10,12-14,17-18,20H,3-6,8-9H2,1-2H3/t10-,12+,13?,14?,16-/m1/s1
InChIKey	QUILJUJWEWGRMX-SBRPMQCUSA-N

Species of Metabolite	Component	Source	Comments
Flammulina velutipes (ncbitaxon:38945)	-	PubMed (27684789)

ChEBI Ontology

Outgoing Relation(s)
	7,13,14-trihydroxy-4-cadinen-15-oic acid methyl ester (CHEBI:218756) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name
methyl (5S,8R)-5-hydroxy-5-(hydroxymethyl)-8-[(2S)-1-hydroxypropan-2-yl]-4,4a,6,7,8,8a-hexahydro-3H-naphthalene-2-carboxylate

Manual Xrefs	Databases
78439455	ChemSpider