input word = C00035769

Metabolite InformationStructural formula
Name Trichorabdal A
Formula C20H26O5
Mw 346.17802394
CAS RN 85329-59-5
C_ID C00035769 ,
InChIKey KIJKAQHLSSAHOL-UHFFFAOYNA-N
InChICode InChI=1S/C20H26O5/c1-11-12-7-13(22)15-19(6-4-5-18(2,3)14(19)9-21)10-25-17(24)20(15,8-12)16(11)23/h9,12-15,22H,1,4-8,10H2,2-3H3/t12-,13+,14-,15+,19-,20+/m1/s1
SMILES C1[C@@]2([C@H]3[C@]4(C(=O)O1)C(=O)C(=C)[C@H](C[C@@H]3O)C4)[C@@H](C(CCC2)(C)C)C=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon oresbia Ref.
PlantaeLabiataeIsodon oresbius Ref.
PlantaeLabiataeIsodon sinuolata Ref.
PlantaeLabiataeIsodon trichocarpa Ref.
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OrganismIsodon oresbia
ReferenceXiang, et al., Phytochemistry, 65, (2004), 1173.

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