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CHEBI:6679 - Mancinellin
| Formula | C36H52O8 |
| Net Charge | 0 |
| Average Mass | 612.804 |
| Monoisotopic Mass | 612.36622 |
| SMILES | [H][C@@]12C=C(C)C(=O)[C@@]1(O)[C@H](O)[C@@]1(CO)O[C@@]1([H])[C@]1([H])[C@]2(O)[C@H](C)C[C@@]2(OC(=O)/C=C/C=C/C=C/CCCCCCCCC)C(C)(C)[C@@]12[H] |
| InChI | InChI=1S/C36H52O8/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(38)43-34-21-24(3)35(41)25-20-23(2)29(39)36(25,42)31(40)33(22-37)30(44-33)27(35)28(34)32(34,4)5/h14-20,24-25,27-28,30-31,37,40-42H,6-13,21-22H2,1-5H3/b15-14+,17-16+,19-18+/t24-,25+,27-,28-,30+,31-,33+,34+,35+,36-/m1/s1 |
| InChIKey | NEZVVESVXBEHTR-YYHKZOSKSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Mancinellin (CHEBI:6679) is a monoterpenoid (CHEBI:25409) |
| Synonym | Source |
|---|---|
| Mancinellin | KEGG COMPOUND |