input word = C00023414

Metabolite InformationStructural formula
Name 3alpha-Angeloyloxy-4-epi-daniellol
Formula C25H36O4
Mw 400.26135964
CAS RN 98204-99-0
C_ID C00023414 ,
InChIKey IAXVXZLOCDEEHV-CAXYPIESNA-N
InChICode InChI=1S/C25H36O4/c1-6-17(2)23(27)29-22-11-13-24(4)20(9-8-19-12-14-28-15-19)18(3)7-10-21(24)25(22,5)16-26/h6,12,14-15,20-22,26H,3,7-11,13,16H2,1-2,4-5H3/b17-6+/t20-,21+,22-,24-,25-/m1/s1
SMILES C1[C@H]([C@@]([C@@H]2[C@](C1)([C@@H](C(=C)CC2)CCc1cocc1)C)(CO)C)OC(=O)/C(=C/C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGutierrezia solbrigii Ref.
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OrganismGutierrezia solbrigii
ReferenceJakupovic,Tetrahedron,41,(1985),4537