input word = C00040550

Metabolite InformationStructural formula
Name Trichorabdal B
(-)-Trichorabdal B
Formula C22H28O7
Mw 404.18350325
CAS RN 79859-42-0
C_ID C00040550 ,
InChIKey BUJZGALXYNSLEB-SOXKWESHNA-N
InChICode InChI=1S/C22H28O7/c1-12-14-7-15(25)17-21(11-29-19(27)22(17,8-14)18(12)26)6-4-5-20(3,16(21)9-23)10-28-13(2)24/h9,14-17,25H,1,4-8,10-11H2,2-3H3/t14-,15-,16-,17+,20+,21-,22+/m1/s1
SMILES C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2C1(CCC[C@@](C)(COC(C)=O)[C@H]1C=O)COC3=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon enanderianus Ref.
PlantaeLabiataeIsodon trichocarpa Ref.
PlantaeLabiataeIsodon xerophilus Ref.
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OrganismIsodon trichocarpa
ReferenceZhang, et al., Acta Scientiarum Naturalium Universitatis Sunyatseni, 37, (1998), 49.

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