input word = C00038126

Metabolite InformationStructural formula
Name Haperforin A
11beta,12beta-Diacetoxyharrisonin
Formula C31H36O14
Mw 632.21050586
CAS RN 247039-12-9
C_ID C00038126 ,
InChIKey HVLGSQRFTUKQIK-SABGFZIYNA-N
InChICode InChI=1S/C31H36O14/c1-14(32)41-18-19-26(5,11-9-17(34)39-8)29(37)24(36)25(3,4)45-31(29,38)28(19,7)30-22(44-30)23(35)43-20(16-10-12-40-13-16)27(30,6)21(18)42-15(2)33/h9-13,18-22,37-38H,1-8H3/b11-9-/t18-,19-,20+,21-,22-,26+,27-,28-,29+,30-,31+/m1/s1
SMILES [C@H]1([C@H]2[C@]([C@]34[C@@]([C@@H]1OC(=O)C)([C@@H](OC(=O)[C@H]3O4)c1cocc1)C)([C@]1([C@@]([C@@]2(C)/C=C\C(=O)OC)(C(=O)C(O1)(C)C)O)O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeHarrisonia abyssinica Ref.
PlantaeSimaroubaceaeHarrisonia perforata Ref.
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OrganismHarrisonia perforata
ReferenceN. Nguyen et al., Chem. Abs., (1997), 128, 292717.