input word = C00060482

Metabolite InformationStructural formula
Name (1alpha,3alpha,4beta,5alpha,6beta,7alpha,12beta,13alpha,17alpha)- 21,23-Epoxy-4,5,5',6-tetrahydro-4-methyl-24-norchola-5,14,20,22-tetraeno[6,5,4-bc]furan-1,3,7,12-tetrol, 1,3-diacetate 7-[(2E)-2-methyl-2-butenoate]
Formula C34H44O9
Mw 596.298533
CAS RN 181298-70-4
C_ID C00060482
InChIKey SKOOAROUOYYCRA-LQJCBYAYSA-N
InChICode InChI=1S/C34H44O9/c1-8-17(2)31(38)43-28-27-22-10-9-21(20-11-12-39-15-20)33(22,6)24(37)13-23(27)34(7)26(42-19(4)36)14-25(41-18(3)35)32(5)16-40-29(28)30(32)34/h8,10-12,15,21,23-30,37H,9,13-14,16H2,1-7H3/b17-8+/t21-,23-,24+,25+,26-,27-,28-,29-,30-,32+,33-,34-/m0/s1
SMILES CC=C(C)C(=O)OC1C2OCC3(C)C(OC(C)=O)CC(OC(C)=O)C(C)(C4CC(O)C5(C)C(=CCC5c5ccoc5)C14)C23
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
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