input word = C00030267

Metabolite InformationStructural formula
Name Floralquinquenoside D
Formula C42H72O15
Mw 816.48712163
CAS RN 958641-34-4
C_ID C00030267 ,
InChIKey YQUSSKADRHYVPT-CVNHHKRINA-N
InChICode InChI=1S/C42H72O15/c1-20(2)23(57-52)10-16-42(8,56-37-35(51)33(49)31(47)25(19-44)54-37)21-9-14-41(7)29(21)22(45)17-27-39(5)13-12-28(38(3,4)26(39)11-15-40(27,41)6)55-36-34(50)32(48)30(46)24(18-43)53-36/h21-37,43-52H,1,9-19H2,2-8H3/t21-,22+,23-,24+,25+,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,39-,40+,41+,42-/m0/s1
SMILES C=C(C)C(CC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C)OO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax quinquefolium L. Ref.
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