input word = C00003566

Metabolite InformationStructural formula
Name Capsicoside A
Formula C63H106O35
Mw 1422.65146516
CAS RN 54999-56-3
C_ID C00003566 ,
InChIKey WUSQCDWYDVFLMN-VIFZKZOYNA-N
InChICode InChI=1S/C63H106O35/c1-21(20-86-55-46(80)42(76)37(71)30(14-64)88-55)7-10-63(85)22(2)36-29(98-63)12-26-24-6-5-23-11-28(27(70)13-62(23,4)25(24)8-9-61(26,36)3)87-59-50(84)52(40(74)33(17-67)91-59)95-58-49(83)45(79)51(35(19-69)93-58)94-60-54(97-57-48(82)44(78)39(73)32(16-66)90-57)53(41(75)34(18-68)92-60)96-56-47(81)43(77)38(72)31(15-65)89-56/h21-60,64-85H,5-20H2,1-4H3/t21-,22+,23-,24-,25+,26+,27-,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+,63-/m1/s1
SMILES [C@@H]1([C@@H](C[C@@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@@H]1[C@H](C2)O[C@@]([C@H]1C)(CC[C@@H](C)CO[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O)O)C)C)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeCapsicum annuum Ref.
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