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 CC(=O)OCC1O[C@H](O[C@H]2CC3(C)C4[C@@H](O)C=C5C(CC[C@H](O[C@H]6OC[C@@H](OC(C)=O)[C@@H](O)C6O)C5(C)C)[C@]4(C)CCC3(C)C2C(C)CCC=C(C)C)[C@H](O)C(O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiHymenogastraceaeHebeloma vinosphyllum Ref.
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