input word = C00044494

Metabolite InformationStructural formula
Name Acinospesigenin B
Formula C31H46O7
Mw 530.32435382
CAS RN 597580-23-9
C_ID C00044494 ,
InChIKey NBBXEAXEXHPVRT-UBXQADPCNA-N
InChICode InChI=1S/C31H46O7/c1-26(25(37)38-6)11-13-31(24(35)36)14-12-29(4)18(19(31)15-26)7-8-22-27(2)16-20(33)23(34)28(3,17-32)21(27)9-10-30(22,29)5/h7,17,19-23,33-34H,8-16H2,1-6H3,(H,35,36)/t19-,20-,21+,22+,23-,26-,27-,28-,29+,30+,31-/m0/s1
SMILES COC(=O)[C@@]1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(C=O)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhytolaccaceaePhytolacca acinosa Ref.
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