input word = C00039554

Metabolite InformationStructural formula
Name Kakkalide
Formula C28H32O15
Mw 608.17412036
CAS RN 58274-56-9
C_ID C00039554 ,
InChIKey QTVAYNGFFDZGDR-MGIIPQSGNA-N
InChICode InChI=1S/C28H32O15/c1-37-12-5-3-11(4-6-12)13-8-39-15-7-16(26(38-2)22(33)18(15)19(13)30)42-28-25(36)23(34)21(32)17(43-28)10-41-27-24(35)20(31)14(29)9-40-27/h3-8,14,17,20-21,23-25,27-29,31-36H,9-10H2,1-2H3/t14-,17+,20-,21+,23-,24-,25+,27-,28+/m0/s1
SMILES c1(c(c(c2c(c1)occ(c2=O)c1ccc(cc1)OC)O)OC)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@H]([C@H]([C@H](CO1)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePueraria thunbergiana Ref.
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