L-735,334 (CHEBI:216327)

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CHEBI:216327 - L-735,334

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ChEBI ID	CHEBI:216327
ChEBI Name	L-735,334
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C33H58O4
Net Charge	0
Average Mass	518.823
Monoisotopic Mass	518.43351
SMILES	CCCCCCCC/C=C\CCCCCCCC(=O)OCC1=CC[C@@]2(C)C[C@H](O)[C@@](O)(C(C)C)[C@@H]2CC1
InChI	InChI=1S/C33H58O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31(35)37-26-28-21-22-29-32(4,24-23-28)25-30(34)33(29,36)27(2)3/h12-13,23,27,29-30,34,36H,5-11,14-22,24-26H2,1-4H3/b13-12-/t29-,30+,32+,33-/m1/s1
InChIKey	IRNSDAKENNBILA-JLIQMYDASA-N

Species of Metabolite	Component	Source	Comments
Trichoderma virens (ncbitaxon:29875)	-	DOI (10.1021/np50126a004)

ChEBI Ontology

Outgoing Relation(s)
	L-735,334 (CHEBI:216327) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name
[(2S,3R,3aR,8aS)-2,3-dihydroxy-8a-methyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-6-yl]methyl (Z)-octadec-9-enoate

Manual Xrefs	Databases
7982428	ChemSpider