input word = C00054350

Metabolite InformationStructural formula
Name Capsoside A
Formula C33H58O15
Mw 694.37757118
CAS RN 340682-67-9
C_ID C00054350
InChIKey WMXPZMBCAXYUAO-OVAVGRNBSA-N
InChICode InChI=1S/C33H58O15/c1-3-5-7-8-9-10-11-12-14-15-24(35)43-18-21(46-25(36)16-13-6-4-2)19-44-32-31(42)29(40)27(38)23(48-32)20-45-33-30(41)28(39)26(37)22(17-34)47-33/h6,13,21-23,26-34,37-42H,3-5,7-12,14-20H2,1-2H3/b13-6-/t21-,22-,23-,26+,27+,28+,29+,30-,31-,32-,33+/m1/s1
SMILES CC/C=CCC(O[C@@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)COC(CCCCCCCCCCC)=O)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeCapsicum annuum var. acuminatum Ref.
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