input word = C00043710

Metabolite InformationStructural formula
Name Melissoidesin U
(+)-Melissoidesin U
Formula C26H38O8
Mw 478.25666819
CAS RN 763095-90-5
C_ID C00043710 ,
InChIKey NKGOUSHKUVGPNO-UWXSFZPVNA-N
InChICode InChI=1S/C26H38O8/c1-12-16-8-17(30)21-25(7)20(34-15(4)29)9-19(33-14(3)28)24(5,6)22(25)18(32-13(2)27)11-26(21,10-16)23(12)31/h16-23,30-31H,1,8-11H2,2-7H3/t16-,17+,18+,19+,20+,21+,22-,23-,25+,26+/m1/s1
SMILES C1[C@@H](C([C@@H]2[C@@]([C@H]1OC(=O)C)([C@H]1[C@@]3(C[C@@H]2OC(=O)C)C[C@@H](C[C@@H]1O)C(=C)[C@H]3O)C)(C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon melissoides Ref.
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