input word = C00031539

Metabolite InformationStructural formula
Name 24-O-Acetylisodahurinol-3-O-beta-D-xylopyranoside
Formula C37H58O10
Mw 662.40299807
CAS RN 769141-23-3
C_ID C00031539 ,
InChIKey LCIQFCBYTOZSAR-LSNDWPARNA-N
InChICode InChI=1S/C37H58O10/c1-18-15-21(30(33(5,6)43)45-19(2)38)46-28-25(18)34(7)13-14-37-17-36(37)12-11-24(47-31-27(41)26(40)20(39)16-44-31)32(3,4)22(36)9-10-23(37)35(34,8)29(28)42/h18,20-28,30-31,39-41,43H,9-17H2,1-8H3/t18-,20-,21-,22+,23+,24+,25+,26+,27-,28-,30+,31+,34-,35-,36-,37+/m1/s1
SMILES [C@@H]1(C[C@H]([C@H]2[C@@H](O1)C(=O)[C@@]1([C@@]2(CC[C@]23[C@H]1CC[C@@H]1[C@@]2(CC[C@@H](C1(C)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)C3)C)C)C)[C@@H](C(C)(O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeSouliea vaginata Ref.
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