input word = C00012236

Metabolite InformationStructural formula
Name Melcanthin B
Formula C23H28O10
Mw 464.16824712
CAS RN 68024-36-2
C_ID C00012236 ,
InChIKey HJUJXXLAPNRGPE-QCRREIMLNA-N
InChICode InChI=1S/C23H28O10/c1-6-11(2)21(27)33-20-18-12(3)22(28)32-17(18)8-14(10-24)7-15(26)9-16(23(29)30-5)19(20)31-13(4)25/h6,8-9,15,17-20,24,26H,3,7,10H2,1-2,4-5H3/b11-6+,14-8+,16-9+/t15-,17+,18-,19+,20-/m1/s1
SMILES [C@H]12[C@@H](OC(=O)C1=C)/C=C(\C[C@H](/C=C(\[C@@H]([C@@H]2OC(=O)/C(=C/C)/C)OC(=O)C)/C(=O)OC)O)/CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMelampodium leucanthum Ref.
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OrganismMelampodium leucanthum
ReferenceFischer,J.Org.Chem.,43,(1978),4984