input word = C00064431

Metabolite InformationStructural formula
Name 3-Oxoquinovic acid
Formula C30H44O5
Mw 484.31887452
CAS RN 60657-50-3
C_ID C00064431
InChIKey FMSFBVNDANCOGZ-UTNBSYOWSA-N
InChICode InChI=1S/C30H44O5/c1-17-9-14-29(24(32)33)15-16-30(25(34)35)19(23(29)18(17)2)7-8-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,30)6/h7,17-18,20-21,23H,8-16H2,1-6H3,(H,32,33)(H,34,35)/t17-,18+,20+,21-,23+,27+,28-,29+,30-/m1/s1
SMILES CC1CCC2(C(=O)O)CCC3(C(=O)O)C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC43C)C2C1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeMitragyna inermis Ref.
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