input word = C00022734

Metabolite InformationStructural formula
Name (ent-2alpha,3beta,13Z)-3-Angeloyloxy-8(17),13-labdadiene-2,15,16,18-tetrol
Formula C25H40O6
Mw 436.28248901
CAS RN 99624-41-6
C_ID C00022734 ,
InChIKey HSXUJQHHXAMJKI-KRCKNHDKNA-N
InChICode InChI=1S/C25H40O6/c1-6-16(2)23(30)31-22-20(29)13-24(4)19(9-8-18(14-27)11-12-26)17(3)7-10-21(24)25(22,5)15-28/h6,11,19-22,26-29H,3,7-10,12-15H2,1-2,4-5H3/b16-6-,18-11-/t19-,20+,21+,22-,24+,25-/m1/s1
SMILES [C@H]1([C@H]([C@@]([C@@H]2[C@@](C1)([C@@H](C(=C)CC2)CC/C(=C/CO)/CO)C)(CO)C)OC(=O)/C(=C\C)/C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGutierrezia solbrigii Ref.
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OrganismGutierrezia solbrigii
ReferenceJakupovic,Phytochem.,41,(1985),4537