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CHEBI:69217 - fatsicarpain B
| Formula | C30H46O6S |
| Net Charge | 0 |
| Average Mass | 534.759 |
| Monoisotopic Mass | 534.30151 |
| SMILES | [H][C@]12C=CC3=C4CC(C)(C)CC[C@]4(C(=O)O)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](OS(=O)(=O)O)CC[C@]21C |
| InChI | InChI=1S/C30H46O6S/c1-25(2)14-16-30(24(31)32)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(36-37(33,34)35)26(3,4)21(27)10-13-29(22,28)7/h8-9,21-23H,10-18H2,1-7H3,(H,31,32)(H,33,34,35)/t21-,22+,23-,27-,28+,29+,30-/m0/s1 |
| InChIKey | NXFKKVRHIZTYMJ-HLYSYWIOSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Fatsia polycarpa (ncbitaxon:230586) | |||
| leaf (BTO:0000713) | PubMed (21766884) | Methylene dichloride soluble fraction of MeOH extract of air-dried and powdered leaves and twigs | |
| twig (BTO:0001411) | PubMed (21766884) | Methylene dichloride soluble fraction of MeOH extract of air-dried and powdered leaves and twigs |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| fatsicarpain B (CHEBI:69217) has parent hydride oleanane (CHEBI:36481) |
| fatsicarpain B (CHEBI:69217) has role plant metabolite (CHEBI:76924) |
| fatsicarpain B (CHEBI:69217) is a monocarboxylic acid (CHEBI:25384) |
| fatsicarpain B (CHEBI:69217) is a pentacyclic triterpenoid (CHEBI:25872) |
| fatsicarpain B (CHEBI:69217) is a sulfuric ester (CHEBI:26819) |
| IUPAC Name |
|---|
| rel-(3S)-3-(sulfooxy)oleana-11,13(18)-dien-28-oic acid |
| Registry Numbers | Sources |
|---|---|
| Reaxys:21876590 | Reaxys |
| Citations |
|---|