input word = C00039414

Metabolite InformationStructural formula
Name Inflexanin B
Formula C22H32O6
Mw 392.21988875
CAS RN 111536-16-4
C_ID C00039414 ,
InChIKey FFIXBFRNWSCZIU-UBHPTMQINA-N
InChICode InChI=1S/C22H32O6/c1-10-12-6-13(24)18-21(5)15(26)7-16(28-11(2)23)20(3,4)17(21)14(25)9-22(18,8-12)19(10)27/h12-18,24-26H,1,6-9H2,2-5H3/t12-,13-,14+,15-,16+,17-,18+,21-,22+/m1/s1
SMILES C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@]1(C)[C@H](O)C[C@H](OC(C)=O)C(C)(C)[C@H]1[C@@H](O)C3
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)