input word = C00037878

Metabolite InformationStructural formula
Name Taibairubescensin A
Formula C24H34O7
Mw 434.23045344
CAS RN 263910-37-8
C_ID C00037878 ,
InChIKey GNTVNVHWPBXBQA-BFALOWKVNA-N
InChICode InChI=1S/C24H34O7/c1-12-19(28)23-8-7-17-21(4,5)20(31-14(3)26)16(30-13(2)25)10-22(17,6)18(23)15(27)9-24(12,29)11-23/h15-18,20,27,29H,1,7-11H2,2-6H3/t15-,16-,17+,18-,20-,22+,23+,24-/m0/s1
SMILES [C@H]1([C@@H](C([C@@H]2[C@@](C1)([C@H]1[C@@]3(CC2)C[C@@](C[C@@H]1O)(C(=C)C3=O)O)C)(C)C)OC(=O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon rubescens Ref.
PlantaeLamiaceaeRabdosia rubescens Ref.
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OrganismRabdosia rubescens
ReferenceLi, et al., Phytochemistry, 53, (2000), 855.

Sun, et al., Diterpenoids from Isodon Species, Science Press, Beijing, (2001)