input word = C00039417

Metabolite InformationStructural formula
Name Inflexinol
Formula C24H34O7
Mw 434.23045344
CAS RN 82843-85-4
C_ID C00039417 ,
InChIKey GTQYDJNEMVAENP-CMOJTBHONA-N
InChICode InChI=1S/C24H34O7/c1-11-14-7-15(27)20-23(6)18(31-13(3)26)8-17(30-12(2)25)22(4,5)19(23)16(28)10-24(20,9-14)21(11)29/h14-20,27-28H,1,7-10H2,2-6H3/t14-,15-,16+,17+,18-,19-,20+,23-,24+/m1/s1
SMILES C1[C@@H](C([C@@H]2[C@@]([C@@H]1OC(=O)C)([C@H]1[C@@]3(C[C@@H]2O)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 excisus Ref.
PlantaeLabiataeIsodon inflexa Ref.
PlantaeLamiaceaeRabdosia inflexa Ref.
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