input word = C00044495

Metabolite InformationStructural formula
Name Acinospesigenin C
Formula C31H46O8
Mw 546.31926845
CAS RN 597580-24-0
C_ID C00044495 ,
InChIKey HZHAFXOYSFFNOQ-XGLYLOOMNA-N
InChICode InChI=1S/C31H46O8/c1-26(25(38)39-6)9-11-31(24(36)37)12-10-29(4)17(18(31)14-26)13-19(33)22-27(2)15-20(34)23(35)28(3,16-32)21(27)7-8-30(22,29)5/h13,16,18-23,33-35H,7-12,14-15H2,1-6H3,(H,36,37)/t18-,19+,20-,21+,22+,23-,26-,27-,28-,29+,30+,31-/m0/s1
SMILES [C@H]1([C@@H]([C@]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=C[C@H]1O)[C@H]1[C@@](CC2)(CC[C@@](C1)(C(=O)OC)C)C(=O)O)C)C)C)(C=O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhytolaccaceaePhytolacca acinosa Ref.
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OrganismPhytolacca acinosa
ReferenceKoul,J.Nat.Prod.,66,(2003),1121