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CHEBI:29540 - Avermectin B2a
| Formula | C48H74O15 |
| Net Charge | 0 |
| Average Mass | 891.105 |
| Monoisotopic Mass | 890.50277 |
| SMILES | [H][C@@]12OC/C3=C\C=C\[C@H](C)[C@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(C[C@H](O)[C@H](C)[C@@H](C(C)CC)O5)O4)OC(=O)[C@H](C=C(C)[C@H]1O)[C@]32O |
| WURCS | WURCS=2.0/2,2,1/[ad211m-1a_1-5_1*OC^SC=^ECCC^ROC^ROC^SC^SC^SC$9/13O/12C/11C^XCC/17C/9CC^SOCC^RC^SC^RC^RC=^XC$25/29C/28O/27OCC=^ECC=^ECC^S$3/39C/35$26/26O/24=O/22C$7/4C_3*OC][ad211m-1a_1-5_3*OC]/1-2/a4-b1 |
| InChI | InChI=1S/C48H74O15/c1-11-24(2)43-28(6)35(49)22-47(63-43)21-33-18-32(62-47)16-15-26(4)42(25(3)13-12-14-31-23-56-45-40(50)27(5)17-34(46(52)59-33)48(31,45)53)60-39-20-37(55-10)44(30(8)58-39)61-38-19-36(54-9)41(51)29(7)57-38/h12-15,17,24-25,28-30,32-45,49-51,53H,11,16,18-23H2,1-10H3/b13-12+,26-15+,31-14+/t24?,25-,28-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47-,48+/m0/s1 |
| InChIKey | CWGATOJEFAKFBK-QJDTYEMPSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Avermectin B2a (CHEBI:29540) is a oligosaccharide (CHEBI:50699) |
| Synonym | Source |
|---|---|
| Avermectin B2a | KEGG COMPOUND |