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CHEBI:209391 - Amichalasine B
| Formula | C57H74N2O11 |
| Net Charge | 0 |
| Average Mass | 963.222 |
| Monoisotopic Mass | 962.52926 |
| 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](C(=O)CCC1)[C@]1(O)C(=O)C(C)=C3[C@H]4O[C@@H]5[C@H]6[C@H](O[C@@]1(O)[C@]352)[C@H](O)CCC(C)=C[C@H]1C=C(C)[C@@H](C)[C@H]2[C@H](CC(C)C)NC(=O)[C@@]12C(=O)[C@@H]64 |
| InChI | InChI=1S/C57H74N2O11/c1-23(2)17-34-40-29(9)27(7)21-32-20-26(6)15-16-37(61)45-39-38(48(63)53(32,40)51(65)58-34)46-42-31(11)47(62)56(67)43-36(60)14-12-13-25(5)19-33-22-28(8)30(10)41-35(18-24(3)4)59-52(66)54(33,41)49(64)44(43)55(42,50(39)69-46)57(56,68)70-45/h19-24,29-30,32-35,37-41,43-46,50,61,67-68H,12-18H2,1-11H3,(H,58,65)(H,59,66)/t29-,30-,32+,33+,34+,35+,37-,38+,39-,40+,41+,43+,44-,45-,46+,50-,53+,54+,55+,56+,57+/m1/s1 |
| InChIKey | LAAUTDBVJAEDID-PXULYSNRSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus (ncbitaxon:5052) | - | PubMed (30730147) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Amichalasine B (CHEBI:209391) 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-17,19,27,30,43,45-hexone |