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CHEBI:209396 - Amichalasine C
| Formula | C57H72N2O12 |
| Net Charge | 0 |
| Average Mass | 977.205 |
| Monoisotopic Mass | 976.50853 |
| 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@]45O[C@]6(O)[C@H]7[C@H](C(=O)[C@@]89C(=O)N[C@@H](CC(C)C)[C@@H]8[C@H](C)C(C)=C[C@@H]9C=C(C)CC[C@H]6O)[C@@H]6O[C@H]7[C@]24C6=C(C)C(=O)[C@@]35O)C(=O)CC1 |
| InChI | InChI=1S/C57H72N2O12/c1-22(2)16-33-38-28(9)26(7)20-31-19-25(6)13-15-36(61)56(68)41-37(47(63)52(31,38)50(65)58-33)45-40-30(11)46(62)55(67)42-43-48(64)53-32(21-27(8)29(10)39(53)34(17-23(3)4)59-51(53)66)18-24(5)12-14-35(60)44(42)70-57(55,71-56)54(40,43)49(41)69-45/h18-23,28-29,31-34,36-39,41-45,49,61,67-68H,12-17H2,1-11H3,(H,58,65)(H,59,66)/t28-,29-,31+,32+,33+,34+,36-,37+,38+,39+,41+,42-,43-,44+,45+,49-,52+,53+,54+,55+,56+,57+/m1/s1 |
| InChIKey | CNFITXWTKULHTL-WMUPQJMJSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus (ncbitaxon:5052) | - | PubMed (30730147) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Amichalasine C (CHEBI:209396) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (1S,3R,4R,9S,12S,13R,14S,17S,19S,20S,21R,23S,27S,28R,29S,31S,34S,35R,36S,39S,45R,47R)-3,4,27-trihydroxy-7,11,12,25,36,37,41-heptamethyl-14,34-bis(2-methylpropyl)-2,22,46-trioxa-15,33-diazadodecacyclo[22.22.1.01,27.03,20.09,17.013,17.019,23.021,47.028,45.029,47.031,35.031,39]heptatetraconta-7,10,24,37,40-pentaene-16,18,26,30,32,44-hexone |