input word = C00003291

Metabolite InformationStructural formula
Name Glaucolide B
Formula C21H26O10
Mw 438.15259705
CAS RN 11091-27-3
C_ID C00003291 ,
InChIKey JNLNEIIZZQABDP-OOBPWUOXNA-N
InChICode InChI=1S/C21H26O10/c1-10(22)27-9-13-16-14(28-11(2)23)8-21(5,30-12(3)24)15(25)6-7-20(4)18(31-20)17(16)29-19(13)26/h14,17-18H,6-9H2,1-5H3/t14-,17-,18+,20+,21+/m0/s1
SMILES CC(=O)OCC1=C2[C@@H](OC(C)=O)C[C@@](C)(OC(C)=O)C(=O)CC[C@@]3(C)O[C@@H]3[C@H]2OC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeVernonia glauca Ref.
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