input word = C00011786

Metabolite InformationStructural formula
Name Ursiniolide B
Formula C24H32O9
Mw 464.20463262
CAS RN 58857-01-5
C_ID C00011786 ,
InChIKey MDEMWAXREYWVBU-SWVSOIPVNA-N
InChICode InChI=1S/C24H32O9/c1-12-8-9-18(31-17(6)26)13(2)11-20-21(14(3)22(27)32-20)19(10-12)33-23(28)24(7,29)15(4)30-16(5)25/h8,11,15,18-21,29H,3,9-10H2,1-2,4-7H3/b12-8-,13-11+/t15-,18-,19+,20-,21+,24+/m1/s1
SMILES C\1(=C\C[C@H](/C(=C/[C@@H]2[C@H]([C@H](C1)OC(=O)[C@@](C)(O)[C@@H](C)OC(=O)C)C(=C)C(=O)O2)/C)OC(=O)C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeUrsinia anthemoides Ref.
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OrganismUrsinia anthemoides
ReferenceSamek,Tetrahedron Lett.,(1979),2691