input word = C00049137

Metabolite InformationStructural formula
Name Coetsoidin A
Formula C22H26O6
Mw 386.17293856
CAS RN 125332-48-1
C_ID C00049137 ,
InChIKey UOYUDLWZKQVTAO-YRKMBZDBNA-N
InChICode InChI=1S/C22H26O6/c1-10-12-5-6-13-21(8-12,19(10)28-11(2)23)18(26)16(25)17-20(3,4)15-7-14(24)22(13,17)9-27-15/h12-13,15,19,25H,1,5-9H2,2-4H3/t12-,13+,15+,19+,21?,22+/m0/s1
SMILES C1[C@@H]2[C@]3(C[C@H](C1)C(=C)[C@H]3OC(=O)C)C(=O)C(=C1[C@]32C(=O)C[C@H](C1(C)C)OC3)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon eriocalyx Ref.
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