Trichaspin (CHEBI:215845)

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CHEBI:215845 - Trichaspin

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ChEBI ID	CHEBI:215845
ChEBI Name	Trichaspin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C17H26O4
Net Charge	0
Average Mass	294.391
Monoisotopic Mass	294.18311
SMILES	CC1=C[C@@H]2O[C@H](C[C@@]3(C)C[C@@H](O)C(=O)O3)C[C@H](C)[C@H]2CC1
InChI	InChI=1S/C17H26O4/c1-10-4-5-13-11(2)7-12(20-15(13)6-10)8-17(3)9-14(18)16(19)21-17/h6,11-15,18H,4-5,7-9H2,1-3H3/t11-,12-,13+,14+,15-,17-/m0/s1
InChIKey	BTUXDAQOACITBL-QARARZEYSA-N

Species of Metabolite	Component	Source	Comments
Trichoderma (ncbitaxon:5543)	-	PubMed (29730583)

ChEBI Ontology

Outgoing Relation(s)
	Trichaspin (CHEBI:215845) is a benzopyran (CHEBI:22727)

IUPAC Name
(3R,5R)-5-[[(2S,4S,4aR,8aR)-4,7-dimethyl-3,4,4a,5,6,8a-hexahydro-2H-chromen-2-yl]methyl]-3-hydroxy-5-methyloxolan-2-one

Manual Xrefs	Databases
71048893	ChemSpider