input word = C00023916

Metabolite InformationStructural formula
Name Hebevinoside I
3beta,16beta-Dihydroxy-7beta-methoxycucurbita-5,24-diene-3-O-beta-D-xylopyranoside-16-O-(6-O-acetyl)-beta-D-glucopyranoside
Formula C44H72O13
Mw 808.49729239
CAS RN 87396-30-3
C_ID C00023916 ,
InChIKey PEVRNEDRRNBORS-ADGDIUHHNA-N
InChICode InChI=1S/C44H72O13/c1-22(2)12-11-13-23(3)32-29(55-40-37(51)35(49)34(48)30(56-40)21-53-24(4)45)19-44(9)38-28(52-10)18-26-25(42(38,7)16-17-43(32,44)8)14-15-31(41(26,5)6)57-39-36(50)33(47)27(46)20-54-39/h12,18,23,25,27-40,46-51H,11,13-17,19-21H2,1-10H3/t23-,25-,27-,28-,29-,30-,31-,32+,33+,34+,35+,36+,37+,38+,39+,40-,42-,43+,44+/m0/s1
SMILES C1[C@@H](C(C2=C[C@@H]([C@@H]3[C@]([C@H]2C1)(CC[C@]1([C@@]3(C[C@@H]([C@H]1[C@H](CCC=C(C)C)C)O[C@H]1O[C@H]([C@H]([C@H]([C@H]1O)O)O)COC(=O)C)C)C)C)OC)(C)C)O[C@@H]1[C@@H]([C@@H]([C@H](CO1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiHymenogastraceaeHebeloma vinosphyllum Ref.
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