input word = C00031885

Metabolite InformationStructural formula
Name Inflexusin
(-)-Inflexusin
Formula C28H38O10
Mw 534.24649744
CAS RN 152985-30-3
C_ID C00031885 ,
InChIKey JWCMFGSMZWWYAM-BVHQWXKDNA-N
InChICode InChI=1S/C28H38O10/c1-14-19-10-20(36-16(3)30)23-27(11-19,24(14)38-18(5)32)25(33)35-13-28(23)21(12-34-15(2)29)26(6,7)9-8-22(28)37-17(4)31/h19-24H,1,8-13H2,2-7H3/t19-,20-,21-,22+,23-,24-,27+,28+/m1/s1
SMILES C1[C@H]2C(=C)[C@H]([C@@]3([C@@H]([C@@H]1OC(=O)C)[C@@]1(COC3=O)[C@@H](C(CC[C@@H]1OC(=O)C)(C)C)COC(=O)C)C2)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon inflexa Ref.
PlantaeLabiataeIsodon rubescens var. lushanensis Ref.
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OrganismIsodon inflexa
ReferenceSun, et al., Diterpenoids from Isodon Species, Science Press, Beijing, (2001).

HAN, et al., Chem Pharm Bull, 51, (2003), 790