input word = C00017496

Metabolite InformationStructural formula
Name Adenostin B
Formula C30H34O4
Mw 458.24570957
CAS RN 100853-41-6
C_ID C00017496 ,
InChIKey WFJDLFQENCZDTJ-WKXVNSPFNA-N
InChICode InChI=1S/C30H34O4/c1-13-8-7-9-18-20(13)17(5)24-28(25(18)31)33-29-19-11-10-14(2)21-16(4)22-15(3)12-32-26(22)27(23(19)21)34-30(24,29)6/h12-14,19,29,31H,7-11H2,1-6H3/t13-,14-,19-,29+,30-/m0/s1
SMILES Cc1c2c(c(O)c3c1C1(C)Oc4c5c(c(C)c6c(C)coc46)[C@@H](C)CCC5C1O3)CCC[C@@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCacalia adenostyloides Ref.
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OrganismCacalia adenostyloides
ReferenceKuroyanagi,Chem.Pharm.Bull.,33,(1985),4792