Leptolstatin (CHEBI:202137)

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CHEBI:202137 - Leptolstatin

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ChEBI ID	CHEBI:202137
ChEBI Name	Leptolstatin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C31H46O5
Net Charge	0
Average Mass	498.704
Monoisotopic Mass	498.33452
SMILES	CC(=C/[C@H](C)C/C=C/C(C)=C/[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C/CO)/C=C/[C@H]1CC=CC(=O)O1
InChI	InChI=1S/C31H46O5/c1-21(18-23(3)14-15-28-12-9-13-29(33)36-28)10-8-11-22(2)19-25(5)30(34)27(7)31(35)26(6)20-24(4)16-17-32/h8-9,11,13-16,18-19,21,25-28,31-32,35H,10,12,17,20H2,1-7H3/b11-8+,15-14+,22-19+,23-18-,24-16+/t21-,25-,26+,27-,28-,31-/m1/s1
InChIKey	LMVRPBWWHMVLPC-OATZMCNESA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (8514627)

ChEBI Ontology

Outgoing Relation(s)
	Leptolstatin (CHEBI:202137) is a diterpene lactone (CHEBI:49193)

IUPAC Name
(2R)-2-[(1E,3Z,5R,7E,9E,11R,13S,14R,15S,17E)-14,19-dihydroxy-3,5,9,11,13,15,17-heptamethyl-12-oxononadeca-1,3,7,9,17-pentaenyl]-2,3-dihydropyran-6-one

Manual Xrefs	Databases
78436822	ChemSpider