CHEBI:202137 - Leptolstatin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Leptolstatin
ChEBI ID CHEBI:202137
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H46O5
Net Charge 0
Average Mass 498.704
Monoisotopic Mass 498.33452
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
SMILES O=C1O[C@@H](/C=C/C(=C\[C@@H](C/C=C/C(=C/[C@H](C(=O)[C@H]([C@H](O)[C@H](C/C(=C/CO)/C)C)C)C)/C)C)/C)CC=C1
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78436822 ChemSpider
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