Botryopimarene A (CHEBI:207390)

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CHEBI:207390 - Botryopimarene A

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ChEBI ID	CHEBI:207390
ChEBI Name	Botryopimarene A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H34O4
Net Charge	0
Average Mass	338.488
Monoisotopic Mass	338.24571
SMILES	CC1(C)[C@@H](O)CC[C@]2(C)C3=CC[C@@](C)([C@H](O)CO)C[C@@H]3[C@@H](O)C[C@@H]12
InChI	InChI=1S/C20H34O4/c1-18(2)15-9-14(22)12-10-19(3,17(24)11-21)7-5-13(12)20(15,4)8-6-16(18)23/h5,12,14-17,21-24H,6-11H2,1-4H3/t12-,14-,15-,16-,17+,19+,20+/m0/s1
InChIKey	AGLNNHMUZJAUFJ-PUSYYGFVSA-N

Species of Metabolite	Component	Source	Comments
Botryotinia (ncbitaxon:40558)	-	PubMed (31596057)

ChEBI Ontology

Outgoing Relation(s)
	Botryopimarene A (CHEBI:207390) is a diterpenoid (CHEBI:23849)

IUPAC Name
(2S,4aS,7R,8aS,9S,10aR)-7-[(1S)-1,2-dihydroxyethyl]-1,1,4a,7-tetramethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthrene-2,9-diol

Manual Xrefs	Databases
81361134	ChemSpider