input word = C00011553

Metabolite InformationStructural formula
Name (E,E)-2-[2-(2,6,6-Trimethyl-2-cyclohexen-1-yl)ethyl]-1,3-butadiene-1,4-diol diacetate
Formula C19H28O4
Mw 320.19875938
CAS RN 79689-22-8
C_ID C00011553 ,
InChIKey XTJQNWBGKWKIKL-QIYIKKHUNA-N
InChICode InChI=1S/C19H28O4/c1-14-7-6-11-19(4,5)18(14)9-8-17(13-23-16(3)21)10-12-22-15(2)20/h7,10,12-13,18H,6,8-9,11H2,1-5H3/b12-10+,17-13+/t18-/m1/s1
SMILES C1=C([C@H](C(CC1)(C)C)CC/C(=C\OC(=O)C)/C=C/OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaulerpaceaeCaulerpa bikinensis Ref.
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