input word = C00012193

Metabolite InformationStructural formula
Name 3-Desacetoxyursiniolide B
Formula C22H30O7
Mw 406.19915331
CAS RN 75628-04-5
C_ID C00012193 ,
InChIKey YVJSZKDPVQXXIH-VHRXNPEUNA-N
InChICode InChI=1S/C22H30O7/c1-12-8-7-9-13(2)11-18(19-14(3)20(24)28-17(19)10-12)29-21(25)22(6,26)15(4)27-16(5)23/h9-10,15,17-19,26H,3,7-8,11H2,1-2,4-6H3/b12-10+,13-9-/t15-,17+,18+,19+,22+/m1/s1
SMILES C=C1C(=O)OC2/C=C(C)CC/C=C(/C)CC(OC(=O)C(C)(O)C(C)OC(C)=O)C12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeUrsinia spp. Ref.
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