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CHEBI:189213 - Amichalasine A
| Formula | C57H72N2O12 |
| Net Charge | 0 |
| Average Mass | 977.205 |
| Monoisotopic Mass | 976.50853 |
| SMILES | CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23C(=O)C2C(C(=O)C(=O)CC1)C1(O)C(=O)C(C)=C3C4OC5C6C(OC1(O)C352)C(O)CCC(C)=CC1C=C(C)C(C)C2C(CC(C)C)NC(=O)C12C(=O)C46 |
| InChI | InChI=1S/C57H72N2O12/c1-22(2)16-33-39-28(9)26(7)20-31-18-25(6)13-15-36(61)45-38-37(48(64)53(31,39)51(66)58-33)46-41-30(11)47(63)56(68)42-43(55(41,50(38)70-46)57(56,69)71-45)49(65)54-32(19-24(5)12-14-35(60)44(42)62)21-27(8)29(10)40(54)34(17-23(3)4)59-52(54)67/h18-23,28-29,31-34,36-40,42-43,45-46,50,61,68-69H,12-17H2,1-11H3,(H,58,66)(H,59,67) |
| InChIKey | YHVSVLSBXJTENI-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Arabidopsis thaliana (ncbitaxon:3702) | leaf (BTO:0000713) | MetaboLights (MTBLS3997) | |
| Aspergillus (ncbitaxon:5052) | - | PubMed (30730147) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Amichalasine A (CHEBI:189213) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (1R,2S,4S,5R,10S,13S,14R,15S,18S,20S,21S,22R,24S,28S,29S,36S,39S,40R,41S,44S,46S)-2,5,28-trihydroxy-8,12,13,26,34,38,39-heptamethyl-15,41-bis(2-methylpropyl)-3,23-dioxa-16,42-diazaundecacyclo[23.21.0.01,22.02,28.04,21.010,18.014,18.020,24.029,46.036,44.040,44]hexatetraconta-8,11,25,34,37-pentaene-17,19,27,30,31,43,45-heptone |