input word = C00012235

Metabolite InformationStructural formula
Name Melrosin B
Formula C24H30O10
Mw 478.18389718
CAS RN 88099-90-5
C_ID C00012235 ,
InChIKey PXMDIOTUWLWVIF-MCJKDQPYNA-N
InChICode InChI=1S/C24H30O10/c1-11(2)21(27)33-19-16(24(30)31-6)9-15(26)7-14(10-25)8-17-18(13(5)23(29)32-17)20(19)34-22(28)12(3)4/h8-9,12,15,17-20,25-26H,1,5,7,10H2,2-4,6H3/b14-8+,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)OC(=O)C(=C)C)/C(=O)OC)O)/CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMelampodium rosei Ref.
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OrganismMelampodium rosei
ReferenceOlivier,Phytochem.,22,(1983),1453