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CHEBI:190389 - DEHYDRO (11,12)URSOLIC ACID LACTONE
| Formula | C30H46O3 |
| Net Charge | 0 |
| Average Mass | 454.695 |
| Monoisotopic Mass | 454.34470 |
| SMILES | CC1C2[C@]3(CC[C@H]1C)CCC1(C)[C@@]2(C=CC2[C@@]4(C)CC[C@H](O)C(C)(C)C4CC[C@]21C)OC3=O |
| InChI | InChI=1S/C30H46O3/c1-18-8-14-29-17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,33-24(29)32)23(29)19(18)2/h10,15,18-23,31H,8-9,11-14,16-17H2,1-7H3/t18-,19?,20?,21?,22+,23?,26+,27-,28?,29+,30+/m1/s1 |
| InChIKey | UVBLDLGZDSGCSN-SQSZDBRRSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | intestinal content (NCIT:C189653) | MetaboLights (MTBLS4101) | Strain: C57BL/6JÂ [EFO:0000606] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| DEHYDRO (11,12)URSOLIC ACID LACTONE (CHEBI:190389) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (1S,5R,10S,13S,17S,19S,20R)-10-hydroxy-4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-23-one |