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CHEBI:200054 - Inonotsulide B
| Formula | C30H46O4 |
| Net Charge | 0 |
| Average Mass | 470.694 |
| Monoisotopic Mass | 470.33961 |
| SMILES | CC(C)(O)[C@H]1CC[C@H]([C@H]2CC[C@@]3(C)C4=CCC5C(C)(C)[C@@H](O)CC[C@]5(C)C4=CC[C@]23C)C(=O)O1 |
| InChI | InChI=1S/C30H46O4/c1-26(2)22-10-9-21-20(28(22,5)15-14-23(26)31)13-17-29(6)19(12-16-30(21,29)7)18-8-11-24(27(3,4)33)34-25(18)32/h9,13,18-19,22-24,31,33H,8,10-12,14-17H2,1-7H3/t18-,19-,22?,23+,24-,28-,29-,30+/m1/s1 |
| InChIKey | XQNCFMBNMADTHB-AJIBSGPHSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Inonotus obliquus (ncbitaxon:167356) | - | DOI (10.1002/hlca.200790214) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Inonotsulide B (CHEBI:200054) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (3R,6R)-3-[(3S,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-(2-hydroxypropan-2-yl)oxan-2-one |
| Manual Xrefs | Databases |
|---|---|
| 78436575 | ChemSpider |