input word = C00032908

Metabolite InformationStructural formula
Name Dinochrome A
Formula C42H58O5
Mw 642.42842496
CAS RN 74709-52-7
C_ID C00032908 ,
InChIKey KXMXJSVCINTGDB-GYJQGZRSNA-N
InChICode InChI=1S/C42H58O5/c1-29(18-14-19-31(3)22-23-37-40(8,9)27-35(46-33(5)43)28-41(37,10)45)16-12-13-17-30(2)20-15-21-32(4)36-24-38-39(6,7)25-34(44)26-42(38,11)47-36/h12-22,24,34-36,44-45H,25-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,32-21+/t23?,34-,35-,36+,41+,42+/m0/s1
SMILES CC(=O)O[C@H]1CC(C)(C)C(=C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)[C@H]2C=C3C(C)(C)C[C@H](O)C[C@@]3(C)O2)[C@](C)(O)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
ChromalveolataPeridiniaceaePeridinium bipes Ref.
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