input word = C00056764

Metabolite InformationStructural formula
Name Keshonin
Formula C31H30O13
Mw 610.16864105
CAS RN 1262796-96-2
C_ID C00056764
InChIKey ICDSELIXFBKIOM-SQQOACJHSA-N
InChICode InChI=1S/C31H30O13/c1-12(2)16-10-18(33)13(3)6-22(16)43-23-7-14(4-5-17(23)32)21-11-20(35)25-19(34)8-15(9-24(25)42-21)41-31-28(38)26(36)27(37)29(44-31)30(39)40/h4-12,26-29,31-34,36-38H,1-3H3,(H,39,40)/t26-,27-,28+,29-,31+/m0/s1
SMILES Cc1cc(Oc2cc(-c3cc(=O)c4c(O)cc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)cc4o3)ccc2O)c(C(C)C)cc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeMonarda punctata Ref.
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