input word = C00049000

Metabolite InformationStructural formula
Name Melissoidesin D
(-)-Melissoidesin D
Formula C26H40O9
Mw 496.26723288
CAS RN 208103-03-1
C_ID C00049000 ,
InChIKey DTXLHTNLCVLTBV-WKVJHDRJNA-N
InChICode InChI=1S/C26H40O9/c1-7-33-11-15-14-8-16(29)20-25(6)17(30)9-18(34-12(2)27)24(4,5)21(25)19(35-13(3)28)23(32)26(20,10-14)22(15)31/h14-21,23,29-30,32H,7-11H2,1-6H3/t14-,15-,16+,17+,18+,19-,20+,21-,23+,25+,26+/m1/s1
SMILES [C@H]1([C@@H]2[C@]3(C[C@@H](C1)[C@H](C3=O)COCC)[C@H]([C@@H]([C@H]1[C@]2([C@H](C[C@@H](C1(C)C)OC(=O)C)O)C)OC(=O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon melissoides Ref.
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