input word = C00062561

Metabolite InformationStructural formula
Name Cembra-2,7,11-triene-4,5-diol
Formula C20H34O2
Mw 306.25588033
CAS RN 64061-31-0
C_ID C00062561
InChIKey GILNHZSXDLGOGJ-MTBVWLLCSA-N
InChICode InChI=1S/C20H34O2/c1-15(2)18-11-9-16(3)7-6-8-17(4)10-12-19(21)20(5,22)14-13-18/h7,10,13-15,18-19,21-22H,6,8-9,11-12H2,1-5H3/b14-13+,16-7-,17-10-/t18-,19-,20+/m1/s1
SMILES OC1CC=C(C)CCC=C(C)CCC(C=CC1(O)C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeNicotiana tabacum Ref.
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