input word = C00038136

Metabolite InformationStructural formula
Name 12beta-Acetoxyharrisonin
Formula C29H34O12
Mw 574.20502655
CAS RN 81279-34-7
C_ID C00038136 ,
InChIKey HOHMQEBYHJKCEM-BMLPFWMHNA-N
InChICode InChI=1S/C29H34O12/c1-14(30)38-17-12-16-24(4,10-8-18(31)36-7)27(34)22(33)23(2,3)41-29(27,35)26(16,6)28-20(40-28)21(32)39-19(25(17,28)5)15-9-11-37-13-15/h8-11,13,16-17,19-20,34-35H,12H2,1-7H3/b10-8-/t16-,17-,19+,20-,24+,25+,26-,27+,28-,29+/m1/s1
SMILES C1[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
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeHarrisonia abyssinica Ref.
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