input word = C00030266

Metabolite InformationStructural formula
Name Floralquinquenoside C
(-)-Floralquinquenoside C
Formula C42H72O15
Mw 816.48712163
CAS RN 958641-33-3
C_ID C00030266 ,
InChIKey HVASPOJCABKKGC-WFXUDYCJNA-N
InChICode InChI=1S/C42H72O15/c1-20-28(46)30(48)32(50)35(53-20)56-33-31(49)29(47)24(19-43)55-36(33)54-23-18-41(8)25(39(6)15-12-26(45)38(4,5)34(23)39)17-22(44)27-21(11-16-40(27,41)7)42(9,51)14-10-13-37(2,3)57-52/h10,13,20-36,43-52H,11-12,14-19H2,1-9H3/b13-10+/t20-,21-,22+,23-,24+,25+,26-,27-,28-,29-,30+,31-,32+,33+,34-,35-,36+,39+,40+,41+,42-/m0/s1
SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3C[C@]4(C)[C@H](C[C@@H](O)[C@@H]5[C@@H]([C@@](C)(O)C/C=C/C(C)(C)OO)CC[C@]54C)[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]34)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax quinquefolium L. Ref.
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