input word = C00046553

Metabolite InformationStructural formula
Name 12-Desacetylhaperforine A
Haperforin B3
Formula C29H34O13
Mw 590.19994117
CAS RN 206055-52-9
C_ID C00046553 ,
InChIKey LFADSCVXFWOCJP-IQALRALQNA-N
InChICode InChI=1S/C29H34O13/c1-13(30)39-16-17-24(4,10-8-15(31)37-7)27(35)22(34)23(2,3)42-29(27,36)26(17,6)28-20(41-28)21(33)40-19(14-9-11-38-12-14)25(28,5)18(16)32/h8-12,16-20,32,35-36H,1-7H3/b10-8-/t16-,17-,18-,19+,20-,24+,25+,26-,27+,28-,29+/m1/s1
SMILES [C@H]1([C@H]2[C@]([C@]34[C@@]([C@@H]1O)([C@@H](OC(=O)[C@H]3O4)c1cocc1)C)([C@]1([C@]([C@@]2(C)/C=C\C(=O)OC)(O)C(=O)C(O1)(C)C)O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeHarrisonia perforata Ref.
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OrganismHarrisonia perforata
ReferenceKhuong-Huu,J.Nat.Prod.,63,(2000),1015