input word = C00029904

Metabolite InformationStructural formula
Name Capsianoside D
Formula C82H134O38
Mw 1726.85530992
CAS RN 121924-08-1
C_ID C00029904 ,
InChIKey AYVUMORLNURNRO-LNCDWHOHNA-N
InChICode InChI=1S/C82H134O38/c1-13-81(11,119-79-71(61(97)56(92)49(34-85)112-79)117-76-65(101)59(95)54(90)47(32-83)110-76)28-18-26-39(4)21-15-20-38(3)23-17-25-42(7)36-106-75-67(103)63(99)69(51(114-75)37-107-74-64(100)58(94)52(88)44(9)108-74)116-78-68(104)70(53(89)45(10)109-78)115-73(105)43(8)31-46(87)30-41(6)24-16-22-40(5)27-19-29-82(12,14-2)120-80-72(62(98)57(93)50(35-86)113-80)118-77-66(102)60(96)55(91)48(33-84)111-77/h13-14,20,24-27,31,44-72,74-80,83-104H,1-2,15-19,21-23,28-30,32-37H2,3-12H3/b38-20+,39-26+,40-27+,41-24+,42-25-,43-31+/t44-,45-,46-,47+,48+,49+,50+,51+,52-,53-,54+,55+,56+,57+,58+,59-,60-,61-,62-,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,74+,75+,76-,77-,78+,79-,80-,81+,82+/m0/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@](CC/C=C(/CC/C=C(\C)/CC/C=C(\CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)OC(=O)/C(=C/[C@@H](O)C/C(=C/CC/C(=C/CC[C@@](C=C)(O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)/C)/C)/C)O)CO[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)/C)\C)(C=C)C)CO)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeCapsicum annuum L. Ref.
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