input word = C00057571

Metabolite InformationStructural formula
Name Pectachol
Formula C26H34O6
Mw 442.23553882
CAS RN 81729-14-8
C_ID C00057571
InChIKey QISGCNZPAGFKFT-ALWXHMJKSA-N
InChICode InChI=1S/C26H34O6/c1-15-7-9-19-25(2,3)20(27)11-12-26(19,4)17(15)14-31-23-18(29-5)13-16-8-10-21(28)32-22(16)24(23)30-6/h8,10,13,17,19-20,27H,1,7,9,11-12,14H2,2-6H3/t17-,19-,20+,26+/m0/s1
SMILES C=C([C@@H]1COC2=C(OC)C=C(C3=C2OC)C=CC(O3)=O)CC[C@@]4([H])C(C)([C@H](O)CC[C@]14C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia abrotanum Ref.
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