input word = C00012239

Metabolite InformationStructural formula
Name Longicornin C
Formula C25H34O10
Mw 494.21519731
CAS RN 89900-55-0
C_ID C00012239 ,
InChIKey PKAMUQXDTPWMHD-SVGWRPMHNA-N
InChICode InChI=1S/C25H34O10/c1-7-13(4)23(29)34-20-17(25(31)32-6)10-16(27)8-15(11-26)9-18-19(14(5)24(30)33-18)21(20)35-22(28)12(2)3/h9-10,12-13,16,18-21,26-27H,5,7-8,11H2,1-4,6H3/b15-9+,17-10+/t13-,16+,18+,19-,20+,21+/m0/s1
SMILES C=C1C(=O)OC2/C=C(CO)CC(O)/C=C(/C(=O)OC)C(OC(=O)C(C)CC)C(OC(=O)C(C)C)C12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMelampodium leucanthum Ref.
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