EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:199690 - Phlebic acid C
| Formula | C30H50O3 |
| Net Charge | 0 |
| Average Mass | 458.727 |
| Monoisotopic Mass | 458.37600 |
| SMILES | CC(C)(O)[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C(=O)O)CC[C@@H]12 |
| InChI | InChI=1S/C30H50O3/c1-25(2)14-8-15-28(6)21(25)13-17-29(7)22(28)9-10-23-27(5)16-11-19(26(3,4)33)20(27)12-18-30(23,29)24(31)32/h19-23,33H,8-18H2,1-7H3,(H,31,32)/t19-,20-,21-,22+,23+,27-,28-,29+,30+/m0/s1 |
| InChIKey | FSWXIHBULWYZOS-YKHKZODKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Peltigera aphthosa (ncbitaxon:52881) | - | DOI (10.1016/0031-9422(90)85124-x) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Phlebic acid C (CHEBI:199690) is a hopanoid (CHEBI:51963) |
| IUPAC Name |
|---|
| (3S,3aS,5aS,5bR,7aS,11aS,11bR,13aR,13bS)-3-(2-hydroxypropan-2-yl)-5b,8,8,11a,13b-pentamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-5a-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 78436531 | ChemSpider |