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CHEBI:219349 - Epicochalasine B
| Formula | C42H49NO12 |
| Net Charge | 0 |
| Average Mass | 759.849 |
| Monoisotopic Mass | 759.32548 |
| SMILES | CC1=C[C@H]2C=C(C)[C@@H](C)[C@H]3[C@H](CC(C)C)NC(=O)[C@@]23C(=O)[C@H]2[C@@H]3[C@H](O[C@@]4(O)C56[C@@H]3O[C@@H]2C52[C@H](C)C(=O)[C@@]4(O)[C@@]3(C)C(=O)[C@]6(O)C(=O)[C@@]24COC=C43)[C@@H](O)CC1 |
| InChI | InChI=1S/C42H49NO12/c1-15(2)10-21-26-18(5)17(4)12-20-11-16(3)8-9-22(44)27-24-25(29(46)37(20,26)34(49)43-21)30-38-19(6)28(45)41(51)35(7)23-13-53-14-36(23,38)33(48)39(50,32(35)47)40(38,31(24)54-30)42(41,52)55-27/h11-13,15,18-22,24-27,30-31,44,50-52H,8-10,14H2,1-7H3,(H,43,49)/t18-,19-,20+,21+,22+,24-,25-,26+,27-,30+,31-,35?,36+,37+,38?,39+,40?,41-,42+/m1/s1 |
| InChIKey | XRWZEKHWGQZZIW-RRVWRZJOSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus flavipes (ncbitaxon:41900) | - | PubMed (26836964) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Epicochalasine B (CHEBI:219349) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (1R,3S,5S,6R,11S,14S,15R,16S,19S,21S,22S,23R,25S,27S,29S,30S,35R)-1,3,6,29-tetrahydroxy-9,13,14,27,30-pentamethyl-16-(2-methylpropyl)-4,24,33-trioxa-17-azaundecacyclo[28.6.1.02,23.02,26.03,29.05,22.011,19.015,19.021,25.026,35.031,35]heptatriaconta-9,12,31-triene-18,20,28,36,37-pentone |