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CHEBI:199324 - 3beta-p-hydroxybenzoyldehydrotumulosic acid
| Formula | C38H52O6 |
| Net Charge | 0 |
| Average Mass | 604.828 |
| Monoisotopic Mass | 604.37639 |
| SMILES | C=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](OC(=O)c5ccc(O)cc5)CC[C@]4(C)C3=CC[C@]12C)C(C)C |
| InChI | InChI=1S/C38H52O6/c1-22(2)23(3)9-14-26(33(41)42)32-29(40)21-38(8)28-15-16-30-35(4,5)31(44-34(43)24-10-12-25(39)13-11-24)18-19-36(30,6)27(28)17-20-37(32,38)7/h10-13,15,17,22,26,29-32,39-40H,3,9,14,16,18-21H2,1-2,4-8H3,(H,41,42)/t26-,29-,30+,31+,32+,36-,37-,38+/m1/s1 |
| InChIKey | BMRXKURCHPMXTP-SGLUJWHRSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Wolfiporia cocos (ncbitaxon:81056) | - | DOI (10.1016/s0031-9422(97)01063-7) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3beta-p-hydroxybenzoyldehydrotumulosic acid (CHEBI:199324) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (2R)-2-[(3S,5R,10S,13R,14R,16R,17R)-16-hydroxy-3-(4-hydroxybenzoyl)oxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78436488 | ChemSpider |