EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:144410 - terpendole C
| Formula | C32H41NO5 |
| Net Charge | 0 |
| Average Mass | 519.682 |
| Monoisotopic Mass | 519.29847 |
| SMILES | [H][C@@]12CC[C@]3(O)[C@](C)(CC[C@]4([H])O[C@]5([H])C(C)(C)O[C@@H](C=C(C)C)O[C@@]5([H])[C@@]5([H])O[C@]354)[C@@]1(C)c1nc3ccccc3c1C2 |
| InChI | InChI=1S/C32H41NO5/c1-17(2)15-23-36-24-26(28(3,4)37-23)35-22-12-13-29(5)30(6)18(11-14-31(29,34)32(22)27(24)38-32)16-20-19-9-7-8-10-21(19)33-25(20)30/h7-10,15,18,22-24,26-27,33-34H,11-14,16H2,1-6H3/t18-,22-,23-,24+,26-,27+,29+,30+,31-,32-/m0/s1 |
| InChIKey | WUOATFFODCBZBE-SCGIUCFSSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | liver (BTO:0000759) | MetaboLights (MTBLS586) | Strain: BALB/c [EFO:0000602] |
| Albophoma yamanashiensis (ncbitaxon:1635095) | cell suspension culture (BTO:0000221) | PubMed (7868384) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| terpendole C (CHEBI:144410) is a organic heterotricyclic compound (CHEBI:26979) |
| terpendole C (CHEBI:144410) is a organooxygen compound (CHEBI:36963) |
| IUPAC Name |
|---|
| (3S,4aR,4bR,5aS,5bS,7aS,13bS,13cR,15aS,16aS)-1,1,13b,13c-tetramethyl-3-(2-methylprop-1-en-1-yl)-1,4a,4b,6,7,7a,8,13,13b,13c,14,15,15a,16a-tetradecahydro-3H,5bH-[1,3]dioxino[5'',4'':2',3']oxireno[4',4a'][1]benzopyrano[5',6':6,7]indeno[1,2-b]indol-5b-ol |
| Synonym | Source |
|---|---|
| (−)-terpendole C | KNApSAcK |
| Citations |
|---|