input word = C00023918

Metabolite InformationStructural formula
Name Hebevinoside III
3beta,7beta,16beta-Trihydroxycucurbita-5,24-diene-3-O-beta-D-xylopyranoside-16-O-(6-O-acetyl)-beta-D-glucopyranoside
Formula C43H70O13
Mw 794.48164232
CAS RN 89203-39-4
C_ID C00023918 ,
InChIKey ZSGIZQTTWRMUOQ-KUESOCPLNA-N
InChICode InChI=1S/C43H70O13/c1-21(2)11-10-12-22(3)31-28(54-39-36(51)34(49)33(48)29(55-39)20-52-23(4)44)18-43(9)37-26(45)17-25-24(41(37,7)15-16-42(31,43)8)13-14-30(40(25,5)6)56-38-35(50)32(47)27(46)19-53-38/h11,17,22,24,26-39,45-51H,10,12-16,18-20H2,1-9H3/t22-,24+,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36+,37+,38-,39-,41-,42+,43-/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](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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