input word = C00022944

Metabolite InformationStructural formula
Name Dinoxanthin
(3S,3'S,5R,5'R,6S,6'S)-6,7-Didehydro-5',6'-epoxy-5',6'-dihydro-beta,beta-carotene-3,3',5(6H)-triol 3-acetate
Formula C42H58O5
Mw 642.42842496
CAS RN 54369-12-9
C_ID C00022944 ,
InChIKey PVNVIBOWBAPFOE-OSDIBRFENA-N
InChICode InChI=1S/C42H58O5/c1-30(18-14-20-32(3)22-23-37-38(6,7)28-36(46-34(5)43)29-40(37,10)45)16-12-13-17-31(2)19-15-21-33(4)24-25-42-39(8,9)26-35(44)27-41(42,11)47-42/h12-22,24-25,35-36,44-45H,26-29H2,1-11H3/b13-12+,18-14+,19-15+,25-24+,30-16+,31-17+,32-20+,33-21+/t23-,35-,36-,40+,41+,42-/m0/s1
SMILES C1[C@@H](C[C@@]2([C@@](C1(C)C)(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C=C1C(C[C@@H](C[C@@]1(C)O)OC(=O)C)(C)C)\C)\C)/C)/C)O2)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
ChromalveolataGymnodiniaceaeGymnodinium splendens Ref.
ProtozoaGymnodiniaceaeAmphidinium carterae Ref.
--Glenodinium sp. Ref.
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