input word = C00054648

Metabolite InformationStructural formula
Name Capsianoside I
Formula C32H52O14
Mw 660.33570637
CAS RN 121924-04-7
C_ID C00054648
InChIKey ISQUNAAALVXWGI-DFTZOVBQSA-N
InChICode InChI=1S/C32H52O14/c1-6-32(5,12-8-11-17(2)9-7-10-18(3)13-20(35)14-19(4)29(41)42)46-31-28(26(39)24(37)22(16-34)44-31)45-30-27(40)25(38)23(36)21(15-33)43-30/h6,10-11,14,20-28,30-31,33-40H,1,7-9,12-13,15-16H2,2-5H3,(H,41,42)/b17-11+,18-10+,19-14+
SMILES C=CC(C)(CC/C=C(C)CC/C=C(C)CC(O)/C=C(C)C(=O)O)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeCapsicum annuum var. fascuilatum Ref.
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OrganismCapsicum annuum var. fascuilatum
ReferenceIzumitani, Y. et al., Chem. Pharm. Bull., 1990, 38, 1299-1307 (Capsianoside I)