input word = C00023048

Metabolite InformationStructural formula
Name Cucumariaxanthin A
(5S,5'S,6S,6'S)-5,5',6,6'-Tetrahydro-beta,beta-carotene-4,4'-dione
Formula C40H56O2
Mw 568.42803103
CAS RN 167613-52-7
C_ID C00023048 ,
InChIKey PJYHZSCGWKQKPK-MDUKWYJYNA-N
InChICode InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24,33-36H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,35-,36-/m0/s1
SMILES [C@@H]1(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/[C@@H]2C(CCC(=O)[C@H]2C)(C)C)\C)\C)/C)/C)C(CCC(=O)[C@H]1C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaCucumariidaeCucumaria echinata Ref.
AnimaliaCucumariidaeCucumaria japonica Ref.
--Pentacta australis Ref.
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