input word = C00023973

Metabolite InformationStructural formula
Name Hericene B
Oleic acid ester of 4(3',7'-dimethyl-2',6'-octadienyl)-2-formyl-3-hydroxyl-5-methoxylbenzyl alcohol
Formula C37H58O5
Mw 582.42842496
CAS RN 157207-55-1
C_ID C00023973 ,
InChIKey UJSYMVCGDZCLIO-DILIWIBYSA-N
InChICode InChI=1S/C37H58O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-36(39)42-29-32-27-35(41-5)33(37(40)34(32)28-38)26-25-31(4)23-21-22-30(2)3/h13-14,22,25,27-28,40H,6-12,15-21,23-24,26,29H2,1-5H3/b14-13+,31-25+
SMILES c1(c(c(c(c(c1)OC)C/C=C(/CCC=C(C)C)\C)O)C=O)COC(=O)CCCCCCC/C=C/CCCCCCCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiHericiaceaeHericium erinaceum strain CBS 233.87 Ref.
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