input word = C00040964

Metabolite InformationStructural formula
Name Glabcensin A
(-)-Glabcensin A
Formula C28H38O10
Mw 534.24649744
CAS RN 196607-44-0
C_ID C00040964 ,
InChIKey RCBBSWXFYDRQED-VXBWUSIPNA-N
InChICode InChI=1S/C28H38O10/c1-12-17-9-19(35-13(2)29)21-27(8)11-18(33)24(37-15(4)31)26(6,7)22(27)20(36-14(3)30)25(38-16(5)32)28(21,10-17)23(12)34/h17-22,24-25,33H,1,9-11H2,2-8H3/t17-,18+,19+,20-,21+,22-,24+,25+,27-,28+/m1/s1
SMILES C=C1C(=O)[C@]23C[C@H]1C[C@H](OC(C)=O)[C@H]2[C@]1(C)C[C@H](O)[C@H](OC(C)=O)C(C)(C)[C@H]1[C@@H](OC(C)=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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