Details of INERMINOSIDE B
| IUPAC | (1S,4aS,6S,7S,7aR)-1-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S)-3,4-dihydroxy-4-[[(2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienoyl]oxymethyl]oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid |
| Canonical Smiles | CC1C(CC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)OC4C(C(CO4)(COC(=O)C(=CCCC(=CCO)C)C)O)O)O |
| Inchi | RAAZLUVKRWKOPP-IXTFQXLOSA-N |
| PubChem ID | 102275330 |
| Smiles | CC(=CCO)CC=CC(C)C(=O)OCC1(O)COC(OC2C(OC3OC=C(C(=O)O)C4CC(O)C(C)C34)OC(CO)C(O)C2O)C1O |
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| Class | Iridoids monoterpenoids |
| Super Class | Monoterpenoids |
| Pathways | Terpenoids |
