input word = C00032234

Metabolite InformationStructural formula
Name Sublanceoside G3
Formula C41H62O14
Mw 778.41395669
CAS RN 923026-99-7
C_ID C00032234 ,
InChIKey BKMTVEKXAQFBQB-KNTBCXQBNA-N
InChICode InChI=1S/C41H62O14/c1-20-26(12-14-49-20)41(45)13-11-27-25(39(41)44)10-9-24-15-29(28(42)19-40(24,27)5)53-33-17-31(47-7)37(22(3)51-33)55-35-18-32(48-8)38(23(4)52-35)54-34-16-30(46-6)36(43)21(2)50-34/h9,12,14,21-23,25,27-38,42-43,45H,10-11,13,15-19H2,1-8H3/t21-,22+,23+,25+,27-,28+,29+,30+,31-,32-,33-,34-,35-,36-,37+,38+,40-,41-/m0/s1
SMILES C1[C@@](C(=O)[C@H]2[C@H](C1)[C@@]1(C(=CC2)C[C@H]([C@@H](C1)O)O[C@@H]1O[C@@H]([C@H]([C@H](C1)OC)O[C@H]1C[C@@H]([C@@H]([C@H](O1)C)O[C@@H]1O[C@H]([C@@H]([C@@H](C1)OC)O)C)OC)C)C)(c1c(occ1)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCynanchum sublanceolatum Ref.
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