input word = C00039266

Metabolite InformationStructural formula
Name Gibberosene B
Formula C22H34O3
Mw 346.25079495
CAS RN 1005397-91-0
C_ID C00039266 ,
InChIKey DGDSKYGEKMVUCF-HUTDAFGRNA-N
InChICode InChI=1S/C22H34O3/c1-15(2)19-12-10-16(3)8-7-9-17(4)11-13-20-22(6,25-20)21(14-19)24-18(5)23/h9-10,12,15,20-21H,7-8,11,13-14H2,1-6H3/b16-10+,17-9+,19-12+/t20-,21-,22+/m0/s1
SMILES C\1(=C/CC/C(=C/C=C(\C[C@@H]([C@]2([C@H](CC1)O2)C)OC(=O)C)/C(C)C)/C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Simularia gibberosa Ref.
--Sinularia gibberosa Ref.
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