input word = C00039415

Metabolite InformationStructural formula
Name Inflexarabdonin A
(-)-Inflexarabdonin A
Formula C24H36O7
Mw 436.2461035
CAS RN 121817-42-3
C_ID C00039415 ,
InChIKey IJGUJYKGBWNOLS-SCZWSCOBNA-N
InChICode InChI=1S/C24H36O7/c1-11-14-7-16(30-12(2)25)20-23(6)17(28)8-18(31-13(3)26)22(4,5)19(23)15(27)10-24(20,9-14)21(11)29/h14-21,27-29H,1,7-10H2,2-6H3/t14-,15+,16+,17+,18+,19-,20+,21-,23-,24+/m1/s1
SMILES C1[C@@H](C([C@@H]2[C@@]([C@H]1O)([C@H]1[C@@]3(C[C@@H]2O)C[C@@H](C[C@@H]1OC(=O)C)C(=C)[C@H]3O)C)(C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon excisus Ref.
PlantaeLabiataeIsodon inflexa Ref.
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OrganismIsodon inflexa
ReferenceSun, et al., Diterpenoids from Isodon Species, Science Press, Beijing, (2001)