input word = C00055453

Metabolite InformationStructural formula
Name Capsianoside XVI
Formula C62H104O35
Mw 1408.6358151
CAS RN 919121-13-4
C_ID C00055453
InChIKey FACCHJQUIWTMKE-QTYBHXFPSA-N
InChICode InChI=1S/C62H104O35/c1-8-62(7,97-61-54(96-60-47(80)41(74)37(70)31(20-65)90-60)50(83)52(32(21-66)91-61)94-59-46(79)40(73)36(69)30(19-64)89-59)17-11-16-25(3)13-9-12-24(2)14-10-15-26(4)22-84-56-48(81)43(76)53(33(92-56)23-85-55-44(77)38(71)34(67)27(5)86-55)95-57-49(82)42(75)51(28(6)87-57)93-58-45(78)39(72)35(68)29(18-63)88-58/h8,12,15-16,27-61,63-83H,1,9-11,13-14,17-23H2,2-7H3/b24-12+,25-16+,26-15-/t27-,28-,29+,30+,31+,32+,33+,34-,35+,36+,37+,38+,39-,40-,41-,42-,43+,44+,45+,46+,47+,48+,49+,50-,51-,52+,53+,54+,55+,56+,57-,58-,59-,60-,61-,62+/m0/s1
SMILES C/C(CO[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]2O[C@@H](C)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@@H](CO[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)O1)=C/CC/C(C)=C/CC/C(C)=C/CC[C@](C=C)(C)O[C@@H]5O[C@H](CO)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O6)[C@H](O)[C@H]5O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeCapsicum annuum Ref.
zoom in