input word = C00040981

Metabolite InformationStructural formula
Name Glabcensin R
(-)-Glabcensin R
Formula C28H36O11
Mw 548.22576199
CAS RN 224789-76-8
C_ID C00040981 ,
InChIKey PFSNOZRHYARTOB-KLBYJFRANA-N
InChICode InChI=1S/C28H36O11/c1-12-22(34)28-11-27(12,35)10-17(36-13(2)29)20(28)26(8)9-18(37-14(3)30)23(38-15(4)31)25(6,7)21(26)19(33)24(28)39-16(5)32/h17-18,20-21,23-24,35H,1,9-11H2,2-8H3/t17-,18-,20-,21+,23-,24-,26-,27-,28-/m0/s1
SMILES C=C1C(=O)[C@]23C[C@@]1(O)C[C@H](OC(C)=O)[C@H]2[C@]1(C)C[C@H](OC(C)=O)[C@H](OC(C)=O)C(C)(C)[C@H]1C(=O)[C@@H]3OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon angustifolius var. glabrescens Ref.
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