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 O[C@@H]1[C@@H](O)[C@H](O)[C@@H](C(O)=O)O[C@H]1OC2=CC(O)=C(C(C=C(C3=CC(OC4=C(C(C)C)C=C(O)C(C)=C4)=C(O)C=C3)O5)=O)C5=C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeMonarda punctata Ref.
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