input word = C00051477

Metabolite InformationStructural formula
Name Maoecrystal T
Formula C27H38O8
Mw 490.25666819
CAS RN 195505-32-9
C_ID C00051477
InChIKey ICDHTKBXLLBPQJ-WXQVGTJINA-N
InChICode InChI=1S/C27H38O8/c1-13-16-10-17-19-25-12-31-27(30,26(19,11-16)21(13)32-14(2)28)22(33-15(3)29)20(25)23(4,5)9-8-18(25)35-24(6,7)34-17/h16-22,30H,1,8-12H2,2-7H3/t16?,17-,18-,19-,20+,21+,22-,25-,26-,27+/m0/s1
SMILES C=C1[C@@H]2C[C@@H]3OC(C)(C)O[C@H]4CCC(C)(C)[C@H]5[C@H](OC(C)=O)[C@@]6(O)OC[C@@]45[C@H]3[C@@]6(C2)[C@@H]1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLamiaceaeRabdosia eriocalyx Ref.
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OrganismRabdosia eriocalyx
ReferenceSun, et al., Diterpenoids from Isodon Species, Science Press, Beijing, (2001)