input word = C00037496

Metabolite InformationStructural formula
Name Methyl 8beta,17-epoxy-3beta,7beta,15-trihydroxy-12(E)-labden-16-oate
(+)-Methyl 8beta,17-epoxy-3beta,7beta,15-trihydroxy-12(E)-labden-16-oate
Formula C21H34O6
Mw 382.23553882
CAS RN 452912-23-1
C_ID C00037496 ,
InChIKey VCHRMQOUVAQSIN-AGFQFKAWNA-N
InChICode InChI=1S/C21H34O6/c1-19(2)15-11-17(24)21(12-27-21)14(20(15,3)9-7-16(19)23)6-5-13(8-10-22)18(25)26-4/h5,14-17,22-24H,6-12H2,1-4H3/b13-5+/t14-,15+,16+,17+,20+,21-/m1/s1
SMILES C1[C@@H](C([C@H]2[C@@](C1)([C@H]([C@]1([C@H](C2)O)OC1)C/C=C(\CCO)/C(=O)OC)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZingiberaceaeAframomum sceptrum Ref.
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OrganismAframomum sceptrum
ReferenceTomla,Phytochem.,60,(2002),197