input word = C00053950

Metabolite InformationStructural formula
Name Capsicoside B2
Formula C39H64O13
Mw 740.43469213
CAS RN 110124-76-0
C_ID C00053950
InChIKey GUSVHVVOABZHAH-HDIKOTLISA-N
InChICode InChI=1S/C39H64O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(46)31(44)34(27(16-41)50-35)51-36-32(45)30(43)29(42)26(15-40)49-36/h18-36,40-46H,5-17H2,1-4H3/t18-,19+,20+,21+,22-,23+,24+,25+,26-,27-,28+,29-,30+,31-,32-,33-,34+,35-,36?,37+,38+,39-/m1/s1
SMILES C[C@@]12[C@@]([H])(C[C@@]3([H])[C@]2([H])[C@H](C)[C@]4(OC[C@H](C)CC4)O3)[C@]([C@]5([H])CC1)([H])CC[C@@]([C@]5(C)CC6)([H])C[C@H]6O[C@H]7[C@H](O)[C@@H](O)[C@@H](OC8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](CO)O7
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeCapsicum annuum Ref.
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