input word = C00023070

Metabolite InformationStructural formula
Name Muricellaxanthin
(3'S,5'R,6S,6'R)-19'-(Acetyloxy)-4,5,6',7'-tetradehydro-5,5',6,6',7,8-hexahydro-3',5',6-trihydroxy-3,8-dioxo-beta,beta-carotene
Formula C42H56O7
Mw 672.40260414
CAS RN 178460-53-2
C_ID C00023070 ,
InChIKey QNSKAMRZYAIYJY-YANUDIGUNA-N
InChICode InChI=1S/C42H56O7/c1-29(17-13-19-31(3)37(46)27-42(48)32(4)23-35(44)25-40(42,8)9)15-11-12-16-30(2)18-14-20-34(28-49-33(5)43)21-22-38-39(6,7)24-36(45)26-41(38,10)47/h11-21,23,36,45,47-48H,24-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,34-20-/t22-,36-,41+,42+/m0/s1
SMILES CC(=O)OC/C(C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)=CC=CC(C)=CC=CC=C(C)C=CC=C(/C)C(=O)C[C@@]1(O)C(C)=CC(=O)CC1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Muricella sp. Ref.
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