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 C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2([C@H]([C@@H](C1)O)[C@H](CC2)[C@@](O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)(CC[C@@H](C(=C)C)OO)C)C)C)C)(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax quinquefolium L. Ref.
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