input word = C00043118

Metabolite InformationStructural formula
Name Welloside
Formula C31H40O18
Mw 700.22146448
CAS RN 219787-03-8
C_ID C00043118 ,
InChIKey DFJXYSIOLQFQOK-MIRHPONDNA-N
InChICode InChI=1S/C31H40O18/c1-42-15-8-12(2-4-14(15)44-29-24(40)22(38)20(36)16(9-32)45-29)3-5-18(35)47-26-13-6-7-43-28(19(13)31(11-34)27(26)49-31)48-30-25(41)23(39)21(37)17(10-33)46-30/h2-8,13,16-17,19-30,32-34,36-41H,9-11H2,1H3/b5-3+/t13-,16+,17+,19+,20+,21+,22-,23-,24+,25+,26-,27-,28-,29+,30-,31+/m0/s1
SMILES COc1cc(/C=C/C(=O)O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]3(CO)O[C@@H]23)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeVeronica bellidioides Ref.
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