input word = C00031540

Metabolite InformationStructural formula
Name 25-O-Acetylcimigenol-3-O-beta-D-xylopyranoside
Formula C37H58O10
Mw 662.40299807
CAS RN 27994-12-3
C_ID C00031540 ,
InChIKey NNFJPOSVDKIWPO-MEQNEOCVNA-N
InChICode InChI=1S/C37H58O10/c1-18-15-21-28(32(5,6)45-19(2)38)47-37(46-21)27(18)33(7)13-14-36-17-35(36)12-11-24(44-29-26(41)25(40)20(39)16-43-29)31(3,4)22(35)9-10-23(36)34(33,8)30(37)42/h18,20-30,39-42H,9-17H2,1-8H3/t18-,20-,21+,22+,23+,24+,25+,26-,27-,28+,29+,30+,33-,34-,35-,36-,37+/m1/s1
SMILES [C@@H]12C[C@H]([C@H]3[C@@](O1)([C@H]([C@@]1([C@@]3(CC[C@]34[C@H]1CC[C@@H]1[C@@]3(CC[C@@H](C1(C)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)C4)C)C)O)O[C@@H]2C(C)(OC(=O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeSouliea vaginata Ref.
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