input word = C00054842

Metabolite InformationStructural formula
Name Capsianoside V methyl ester
Formula C27H44O10
Mw 528.29344763
CAS RN 1033772-78-9
C_ID C00054842
InChIKey ZVUKZMWLRYNENB-RKJLFWSHSA-N
InChICode InChI=1S/C27H44O10/c1-6-27(4,37-26-24(33)23(32)22(31)21(16-29)36-26)12-8-11-19(15-28)10-7-9-17(2)13-20(30)14-18(3)25(34)35-5/h6,9,11,14,20-24,26,28-33H,1,7-8,10,12-13,15-16H2,2-5H3/b17-9+,18-14+,19-11-/t20?,21-,22-,23+,24-,26+,27-/m1/s1
SMILES C/C(C(OC)=O)=CC(O)C/C(C)=C/CC/C(CO)=C/CC[C@@](C)(C=C)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeCapsicum annuum var. grossum Ref.
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