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\1(=C\CC/C(=C/[C@H]2[C@@H]([C@H](C1)OC(=O)[C@](O)(C)[C@@H](C)OC(=O)C)C(=C)C(=O)O2)/C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeUrsinia spp. Ref.
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