input word = C00003438

Metabolite InformationStructural formula
Name Inflexin
Formula C24H32O7
Mw 432.21480338
CAS RN 39388-66-4
C_ID C00003438 ,
InChIKey YVMIOJMVICZZJA-NJSHPMPQNA-N
InChICode InChI=1S/C24H32O7/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/h14-15,17-20,27H,1,7-10H2,2-6H3/t14-,15-,17+,18-,19-,20+,23-,24+/m1/s1
SMILES C=C1C(=O)[C@@]23CC(=O)[C@@H]4C(C)(C)[C@@H](OC(C)=O)C[C@@H](OC(C)=O)[C@@]4(C)[C@@H]2[C@H](O)C[C@@H]1C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon excisus Ref.
PlantaeLabiataeIsodon inflexa Ref.
PlantaeLabiataeIsodon inflexus Ref.
PlantaeLabiataeIsodon lungshengensis Ref.
PlantaeLamiaceaeRabdosia inflexa Ref.
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OrganismIsodon inflexa
ReferenceSun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998).

Buckingham(Executive Editor), Dictionary of Natural Products, Chapman & Hall, 1994, Vol1-7

1995, Vol8

1996, Vol9

1997, Vol10

1998, Vol11