input word = C00023257

Metabolite InformationStructural formula
Name [1R-[1alpha(E),4beta,4abeta,5beta(E),6alpha,8aalpha]]-[4-(Acetyloxy)decahydro-6-hydroxy-1,4a,6-trimethyl-5-(3-methyl-2,4-pentadienyl)-1-naphthalenyl]methyl ester 3-(4-hydroxyphenyl)-2-propenoic acid
Formula C31H42O6
Mw 510.29813907
CAS RN 75838-60-7
C_ID C00023257 ,
InChIKey OZHDEGRCZAFFLC-VZUZTIJRNA-N
InChICode InChI=1S/C31H42O6/c1-7-21(2)8-14-26-30(5,35)19-16-25-29(4,18-17-27(31(25,26)6)37-22(3)32)20-36-28(34)15-11-23-9-12-24(33)13-10-23/h7-13,15,25-27,33,35H,1,14,16-20H2,2-6H3/b15-11+,21-8+/t25-,26+,27-,29+,30-,31+/m1/s1
SMILES C1C[C@@]([C@@H]2[C@]([C@@H]1OC(=O)C)([C@H]([C@](CC2)(C)O)C/C=C(\C)/C=C)C)(C)COC(=O)/C=C/c1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAristeguietia buddleaefolia Ref.
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