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CHEBI:191977 - Arnidenediol
| Formula | C30H50O2 |
| Net Charge | 0 |
| Average Mass | 442.728 |
| Monoisotopic Mass | 442.38108 |
| SMILES | [H][C@]12CC[C@@]3([H])[C@@](C)(C[C@H](O)[C@@]4(C)CCC(=C)[C@@H](C)[C@]34[H])[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C |
| InChI | InChI=1S/C30H50O2/c1-18-11-14-28(6)24(32)17-30(8)20(25(28)19(18)2)9-10-22-27(5)15-13-23(31)26(3,4)21(27)12-16-29(22,30)7/h19-25,31-32H,1,9-17H2,2-8H3/t19-,20-,21+,22-,23+,24+,25-,27+,28-,29-,30-/m1/s1 |
| InChIKey | IOPDFSGGBHSXSV-IMLFCHQCSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Populus trichocarpa (ncbitaxon:3694) | root (BTO:0001188) | MetaboLights (MTBLS4196) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Arnidenediol (CHEBI:191977) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (3S,4aR,6aR,6aR,6bR,8S,8aS,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene-3,8-diol |