input word = C00049694

Metabolite InformationStructural formula
Name 2-Hydroxynephthenol
Formula C20H34O2
Mw 306.25588033
CAS RN 56987-39-4
C_ID C00049694 ,
InChIKey BTNVLHKMJCRURY-ODNNCTDHNA-N
InChICode InChI=1S/C20H34O2/c1-15-8-6-10-16(2)12-13-18(20(4,5)22)19(21)14-17(3)11-7-9-15/h9-10,14,18-19,21-22H,6-8,11-13H2,1-5H3/b15-9+,16-10+,17-14+/t18-,19-/m1/s1
SMILES C\1=C(/CC/C=C(/CC/C=C(/CC[C@H]([C@@H]1O)C(C)(O)C)\C)\C)\C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Nephthea brassica Ref.
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