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CHEBI:219888 - Merosterol B
| Formula | C29H36Cl2O8 |
| Net Charge | 0 |
| Average Mass | 583.505 |
| Monoisotopic Mass | 582.17872 |
| SMILES | COC[C@@]1(C)CCC[C@]2(C(=O)OC)[C@@H]1[C@H](Cl)[C@H](O)[C@]1(C)C3=Cc4c5c(cc(Cl)c4[C@]3(C)[C@H](O)C[C@]12O)OCO5 |
| InChI | InChI=1S/C29H36Cl2O8/c1-25(12-36-4)7-6-8-28(24(34)37-5)22(25)20(31)23(33)27(3)17-9-14-19(15(30)10-16-21(14)39-13-38-16)26(17,2)18(32)11-29(27,28)35/h9-10,18,20,22-23,32-33,35H,6-8,11-13H2,1-5H3/t18-,20+,22-,23+,25-,26+,27+,28-,29+/m1/s1 |
| InChIKey | IRLOALWUIBVXKM-RXMVPVJXSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Scytonemaspecies PCC 10023 (ncbitaxon:1680591) | - | PubMed (28370791) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Merosterol B (CHEBI:219888) is a benzodioxoles (CHEBI:38298) |
| IUPAC Name |
|---|
| methyl (2S,3R,4S,5R,6S,10S,11S,13R,14R)-4,16-dichloro-3,11,13-trihydroxy-6-(methoxymethyl)-2,6,14-trimethyl-19,21-dioxahexacyclo[12.10.0.02,11.05,10.015,23.018,22]tetracosa-1(24),15,17,22-tetraene-10-carboxylate |
| Manual Xrefs | Databases |
|---|---|
| 61708481 | ChemSpider |