input word = C00017495

Metabolite InformationStructural formula
Name Adenostin A
Formula C30H34O4
Mw 458.24570957
CAS RN 100853-39-2
C_ID C00017495 ,
InChIKey YAJPEVBXCVNKQK-PTTDRDKLNA-N
InChICode InChI=1S/C30H34O4/c1-14-8-6-10-19-23(14)18(5)26-17(4)22(34-30(26)28(19)32)12-21-24-15(2)9-7-11-20(24)27(31)29-25(21)16(3)13-33-29/h13-15,31-32H,6-12H2,1-5H3/t14-,15-/m0/s1
SMILES C1C[C@@H](c2c(C1)c(c1c(c2C)c(c(o1)Cc1c2c(c(c3c1[C@H](CCC3)C)O)occ2C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCacalia adenostyloides Ref.
PlantaeAsteraceaePsacalium radulifolium Ref.
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