input word = C00048997

Metabolite InformationStructural formula
Name Melissoidesin A
(-)-Melissoidesin A
Formula C24H34O8
Mw 450.22536806
CAS RN 208103-00-8
C_ID C00048997 ,
InChIKey ATUCQPFWHCCPKK-KPSBYIMVNA-N
InChICode InChI=1S/C24H34O8/c1-10-13-7-14(27)18-23(6)15(28)8-16(31-11(2)25)22(4,5)19(23)17(32-12(3)26)21(30)24(18,9-13)20(10)29/h13-19,21,27-28,30H,1,7-9H2,2-6H3/t13-,14+,15+,16+,17-,18+,19-,21+,23-,24+/m1/s1
SMILES [C@H]1([C@@H]2[C@]3(C[C@@H](C1)C(=C)C3=O)[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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OrganismIsodon melissoides
ReferenceZhao,Phytochem.,47,(1998),1089