input word = C00023033

Metabolite InformationStructural formula
Name Halocynthiaxanthin
(3S,3'R,5R,6S)-7',8'-Didehydro-5,6-epoxy-5,6,7,8-tetrahydro-8-oxo-beta,beta-carotene-3,3'-diol
Formula C40H54O4
Mw 598.40221021
CAS RN 81306-52-7
C_ID C00023033 ,
InChIKey CNOIXMULOQWVGR-GRIUWDMXNA-N
InChICode InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)24-37(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)27-40-38(8,9)25-34(42)26-39(40,10)44-40/h11-20,33-34,41-42H,23-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+/t33-,34+,39-,40+/m1/s1
SMILES [C@]12(CC(=O)/C(=C/C=C/C(=C\C=C\C=C(\C=C\C=C(\C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaPolyclinidaeAmaroucium pliciferum Ref.
AnimaliaPyuridaeHalocynthia roretzi Ref.
PlantaeCorbiculidaeCorbicula japonica Ref.
PlantaeCorbiculidaeCorbicula sandai Ref.
--Mytilus edulis Ref.
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