input word = C00023917

Metabolite InformationStructural formula
Name Hebevinoside II
3beta,7beta,16beta-Trihydroxycucurbita-5,24-diene-3-O-beta-D-xylopyranoside-16-O-(6-O-acetyl)-beta-D-glucopyranoside
Formula C45H72O14
Mw 836.49220701
CAS RN 89456-98-4
C_ID C00023917 ,
InChIKey RKJPAJOYCCHXQX-VHJQSYMDNA-N
InChICode InChI=1S/C45H72O14/c1-22(2)12-11-13-23(3)33-29(57-41-38(53)36(51)34(49)31(58-41)20-54-24(4)46)19-45(10)39-28(48)18-27-26(43(39,8)16-17-44(33,45)9)14-15-32(42(27,6)7)59-40-37(52)35(50)30(21-55-40)56-25(5)47/h12,18,23,26,28-41,48-53H,11,13-17,19-21H2,1-10H3/t23-,26+,28-,29-,30-,31-,32-,33+,34-,35-,36-,37+,38+,39-,40+,41-,43-,44+,45+/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)O)(C)C)O[C@@H]1[C@@H]([C@H]([C@H](CO1)OC(=O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiHymenogastraceaeHebeloma vinosphyllum Ref.
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