input word = C00020456

Metabolite InformationStructural formula
Name Jamaicolide B
Formula C22H26O9
Mw 434.15768243
CAS RN 102907-29-9
C_ID C00020456 ,
InChIKey DWZFVPGJRFRJDM-JUESTSJQNA-N
InChICode InChI=1S/C22H26O9/c1-9(6-7-27-11(3)23)18(24)28-12-8-20(4,26)22-15(14-13(12)10(2)19(25)29-14)21(5)16(30-21)17(22)31-22/h6,12-17,26H,2,7-8H2,1,3-5H3/b9-6-/t12-,13-,14+,15+,16-,17+,20-,21+,22-/m1/s1
SMILES C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=CCOC(C)=O)C[C@@](C)(O)[C@]13O[C@H]1[C@H]1O[C@@]1(C)[C@H]23
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalea jamaicensis Ref.
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