input word = C00036648

Metabolite InformationStructural formula
Name 7-Deoxo-7beta-acetoxykihadanin B
(+)-7-Deoxo-7beta-acetoxykihadanin B
Formula C28H34O10
Mw 530.21519731
CAS RN 329318-72-1
C_ID C00036648 ,
InChIKey NCNVNIVCTSYUFB-PGZWTQGINA-N
InChICode InChI=1S/C28H34O10/c1-13(29)34-17-12-16-24(2,3)37-18(30)8-9-25(16,4)15-7-10-26(5)20(14-11-19(31)35-22(14)32)36-23(33)21-28(26,38-21)27(15,17)6/h8-9,11,15-17,19-21,31H,7,10,12H2,1-6H3/t15-,16+,17+,19-,20+,21-,25-,26+,27+,28-/m1/s1
SMILES [C@@]12([C@@H](C[C@@H]([C@@]3([C@@H]1CC[C@@]1([C@@]43[C@@H](C(=O)O[C@H]1C1=C[C@@H](OC1=O)O)O4)C)C)OC(=O)C)C(OC(=O)C=C2)(C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeTrichilia elegans ssp. elegans Ref.
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OrganismTrichilia elegans ssp. elegans
ReferenceGarcez,Phytochem.,55,(2000),733