input word = C00045209

Metabolite InformationStructural formula
Name Adenanthin I
(-)-Adenanthin I
Formula C24H34O8
Mw 450.22536806
CAS RN 454703-16-3
C_ID C00045209 ,
InChIKey IOGKWQTYYBQQRM-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(29)21(32-12(3)26)24(18,9-13)20(10)30/h13-19,21,27-29H,1,7-9H2,2-6H3/t13-,14+,15+,16+,17-,18+,19-,21+,23-,24+/m1/s1
SMILES C1[C@@H](C([C@@H]2[C@]([C@H]1O)([C@H]1[C@@]3([C@H]([C@@H]2O)OC(=O)C)C[C@@H](C[C@@H]1O)C(=C)C3=O)C)(C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon adenantha Ref.
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