KNApSAcK Metabolite C00023113
Metabolite
KNApSAcK Entry
| id | C00023113 |
|---|---|
| Name | Apoalloxanthinal / (3R)-3-Hydroxy-7,8-didehydro-8'-apo-beta-caroten-8'-al |
| CAS RN | 190849-79-7 |
| Standard InChI | InChI=1S/C30H38O2/c1-23(12-8-9-13-24(2)15-11-17-26(4)22-31)14-10-16-25(3)18-19-29-27(5)20-28(32)21-30(29,6)7/h8-17,22,28,32H,20-21H2,1-7H3/b9-8+,14-10+,15-11+,23-12+,24-13+,25-16+,26-17+/t28-/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C30H38O2/c1-23(12-8-9-13-24(2)15-11-17-26(4)22-31)14-10-16-25(3)18-19-29-27(5)20-28(32)21-30(29,6)7/h8-17,22,28,32H,20-21H2,1-7H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 747 |
Link
ChEMBL
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| By standard InChI Main Layer |
KEGG
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CTD
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