ISISHOST03240423202D 1   1.00000     0.00000  7650

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 39 41  1  0     0  0
M  END
> <ID>
CHEBI:8835

> <NAME>
Rhodoxanthin

> <STAR>
2

> <SYNONYM>
Rhodoxanthin

> <FORMULA>
C40H50O2

> <MASS>
562.825

> <MONOISOTOPIC_MASS>
562.38108

> <CHARGE>
0

> <SMILES>
CC(\C=C\C=C\C(C)=C\C=C\C(C)=C\C=C1\C(C)=CC(=O)CC1(C)C)=C/C=C/C(C)=C/C=C1/C(C)=CC(=O)CC1(C)C

> <INCHI>
InChI=1S/C40H50O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26H,27-28H2,1-10H3/b15-11+,16-12+,19-13+,20-14+,29-17+,30-18+,31-21+,32-22+,37-23-,38-24-

> <INCHIKEY>
VWXMLZQUDPCJPL-ZDHAIZATSA-N

> <CAS_REGISTRY_NUMBER>
116-30-3

> <KEGG_COMPOUND_ACCESSION>
C08610

> <KNAPSACK_ACCESSION>
C00003784

$$$$