input word = C00055397

Metabolite InformationStructural formula
Name Capsicoside D
Formula C62H104O33
Mw 1376.64598585
CAS RN 160260-25-3
C_ID C00055397
InChIKey LBLYBYTZXWQUGX-UHFFFAOYSA-N
InChICode InChI=1S/C62H104O33/c1-22(20-83-54-46(78)41(73)38(70)31(15-63)86-54)7-12-62(82)23(2)36-30(95-62)14-28-26-6-5-24-13-25(8-10-60(24,3)27(26)9-11-61(28,36)4)85-56-48(80)43(75)51(35(19-67)89-56)92-59-53(52(40(72)33(17-65)88-59)93-55-45(77)37(69)29(68)21-84-55)94-58-49(81)44(76)50(34(18-66)90-58)91-57-47(79)42(74)39(71)32(16-64)87-57/h22-59,63-82H,5-21H2,1-4H3
SMILES CC(COC1C(O)C(O)C(O)C(O1)CO)CCC2(O)C(C3C(O2)CC4C(C5CCC43C)CCC6CC(OC7C(O)C(O)C(OC8C(OC9C(O)C(O)C(OC%10C(O)C(O)C(O)C(CO)O%10)C(CO)O9)C(OC%11C(O)C(O)C(O)CO%11)C(O)C(O8)CO)C(O7)CO)CCC65C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeCapsicum annuum Ref.
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