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CHEBI:142875 - andrastin E
| Formula | C26H38O5 |
| Net Charge | 0 |
| Average Mass | 430.585 |
| Monoisotopic Mass | 430.27192 |
| SMILES | [H][C@@]12C=C(C)[C@@]3(C)C(=O)C(C)=C(O)[C@@]3(C(=O)OC)[C@@]1(C)CC[C@]1([H])C(C)(C)[C@H](O)CC[C@@]21C |
| InChI | InChI=1S/C26H38O5/c1-14-13-17-23(5)11-10-18(27)22(3,4)16(23)9-12-24(17,6)26(21(30)31-8)20(29)15(2)19(28)25(14,26)7/h13,16-18,27,29H,9-12H2,1-8H3/t16-,17+,18-,23-,24+,25+,26-/m1/s1 |
| InChIKey | UWNMGJYESPODDH-FOBKTAAQSA-N |
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| andrastin E (CHEBI:142875) has functional parent andrastin D (CHEBI:142874) |
| andrastin E (CHEBI:142875) is a 15-hydroxy steroid (CHEBI:38089) |
| andrastin E (CHEBI:142875) is a 17-oxo steroid (CHEBI:19168) |
| andrastin E (CHEBI:142875) is a 3α-hydroxy steroid (CHEBI:36835) |
| andrastin E (CHEBI:142875) is a 3β-hydroxy-4,4-dimethylsteroid (CHEBI:143563) |
| andrastin E (CHEBI:142875) is a 5β steroid (CHEBI:136889) |
| andrastin E (CHEBI:142875) is a enol (CHEBI:33823) |
| andrastin E (CHEBI:142875) is a meroterpenoid (CHEBI:64419) |
| andrastin E (CHEBI:142875) is a methyl ester (CHEBI:25248) |
| andrastin E (CHEBI:142875) is conjugate acid of andrastin E(1−) (CHEBI:142813) |
| Incoming Relation(s) |
| andrastin E(1−) (CHEBI:142813) is conjugate base of andrastin E (CHEBI:142875) |
| IUPAC Name |
|---|
| methyl 3α,15-dihydroxy-4,4,8α,12,16-pentamethyl-17-oxo-5β,9β,10α,13α-androsta-11,15-diene-14-carboxylate |
| Synonyms | Source |
|---|---|
| methyl (3α,5β,8α,9β,10α,13α)-3,15-dihydroxy-4,4,8,12,16-pentamethyl-17-oxoandrosta-11,15-diene-14-carboxylate | IUPAC |
| (−)-andrastin E | ChEBI |