input word = C00044493

Metabolite InformationStructural formula
Name Acinospesigenin A
Formula C32H50O6
Mw 530.36073933
CAS RN 597580-22-8
C_ID C00044493 ,
InChIKey JJFCAFYUQNMBBV-QJEPLTIENA-N
InChICode InChI=1S/C32H50O6/c1-19(34)38-24-10-12-29(5)22(31(24,7)18-33)8-11-28(4)21-9-13-32(26(36)37)15-14-27(2,3)17-23(32)30(21,6)16-20(35)25(28)29/h9,20,22-25,33,35H,8,10-18H2,1-7H3,(H,36,37)/t20-,22-,23+,24+,25+,28+,29+,30-,31+,32-/m1/s1
SMILES CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)C4=CC[C@@]5(C(=O)O)CCC(C)(C)C[C@H]5[C@]4(C)C[C@@H](O)[C@H]23)[C@]1(C)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhytolaccaceaePhytolacca acinosa Ref.
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