input word = C00054840

Metabolite InformationStructural formula
Name Capsianoside XIV
Formula C38H64O16
Mw 776.419436
CAS RN 1033772-79-0
C_ID C00054840
InChIKey WCALJGCPGKSKSU-QPGLPJLFSA-N
InChICode InChI=1S/C38H64O16/c1-7-38(6,48)16-10-15-24(17-39)14-9-12-20(2)11-8-13-21(3)18-49-36-33(47)30(44)34(54-37-32(46)29(43)27(41)23(5)52-37)25(53-36)19-50-35-31(45)28(42)26(40)22(4)51-35/h7,12-13,15,22-23,25-37,39-48H,1,8-11,14,16-19H2,2-6H3/b20-12+,21-13-,24-15-/t22-,23-,25+,26-,27-,28+,29+,30+,31+,32+,33+,34+,35+,36+,37-,38+/m0/s1
SMILES C/C(CO[C@@H]1O[C@H](CO[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)[C@@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@H](O)[C@H]1O)=C/CC/C(C)=C/CC/C(CO)=C/CC[C@@](O)(C)C=C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeCapsicum annuum var. grossum Ref.
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