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CHEBI:184035 - Cimicifugoside h 2
| Formula | C35H54O10 |
| Net Charge | 0 |
| Average Mass | 634.807 |
| Monoisotopic Mass | 634.37170 |
| SMILES | [H][C@@]12CC=C3[C@]4(C)CC(=O)[C@]([H])([C@H](C)CC(=O)[C@H](O)C(C)(C)O)[C@@]4(C)C[C@H](O)[C@]34C[C@@]41CC[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C2(C)C |
| InChI | InChI=1S/C35H54O10/c1-17(12-18(36)28(42)31(4,5)43)25-19(37)13-32(6)22-9-8-21-30(2,3)24(45-29-27(41)26(40)20(38)15-44-29)10-11-34(21)16-35(22,34)23(39)14-33(25,32)7/h9,17,20-21,23-29,38-43H,8,10-16H2,1-7H3/t17-,20-,21+,23+,24+,25+,26+,27-,28+,29+,32+,33-,34-,35+/m1/s1 |
| InChIKey | SUNYLGIAMKNXMN-GLWILYKISA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | small intestine (BTO:0000651) | MetaboLights (MTBLS3486) | Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424] |
| Nippostrongylus brasiliensis (ncbitaxon:27835) | Whole Organism (NCIT:C13413) | MetaboLights (MTBLS3486) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Cimicifugoside h 2 (CHEBI:184035) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (1S,3R,6S,8R,12R,15R,16R,18S)-15-[(2R,5R)-5,6-dihydroxy-6-methyl-4-oxoheptan-2-yl]-18-hydroxy-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypentacyclo[9.7.0.01,3.03,8.012,16]octadec-10-en-14-one |
| Manual Xrefs | Databases |
|---|---|
| 8276122 | ChemSpider |