Cyathin B3 (CHEBI:211410)

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CHEBI:211410 - Cyathin B3

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ChEBI ID	CHEBI:211410
ChEBI Name	Cyathin B3
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H28O3
Net Charge	0
Average Mass	316.441
Monoisotopic Mass	316.20384
SMILES	CC(C)C1=C2[C@H]3C[C@H]4OC(O)(C=C4C=O)[C@]3(C)CC[C@@]2(C)CC1
InChI	InChI=1S/C20H28O3/c1-12(2)14-5-6-18(3)7-8-19(4)15(17(14)18)9-16-13(11-21)10-20(19,22)23-16/h10-12,15-16,22H,5-9H2,1-4H3/t15-,16-,18-,19-,20?/m1/s1
InChIKey	GKBGUWADNOULOP-DVRXPUNCSA-N

Species of Metabolite	Component	Source	Comments
Cyathus helenae (ncbitaxon:380658)	-	PubMed (5156938)

ChEBI Ontology

Outgoing Relation(s)
	Cyathin B3 (CHEBI:211410) is a diterpenoid (CHEBI:23849)

IUPAC Name
(2R,5R,10R,12R)-1-hydroxy-2,5-dimethyl-8-propan-2-yl-15-oxatetracyclo[10.2.1.02,10.05,9]pentadeca-8,13-diene-13-carbaldehyde

Manual Xrefs	Databases
78438518	ChemSpider