EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C33H56O14 |
| Net Charge | 0 |
| Average Mass | 676.797 |
| Monoisotopic Mass | 676.36701 |
| SMILES | C=CC(C)(CC/C=C(\C)CCC=C(C)C)OC1OC(COC2OC(C)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O |
| WURCS | WURCS=2.0/2,3,2/[axxxxh-1x_1-5_1*OC^XCCC=^ECCCC=CC/11C/7C/3C=C/3C][axxxxm-1x_1-5]/1-2-2/a6-b1_b4-c1 |
| InChI | InChI=1S/C33H56O14/c1-8-33(7,14-10-13-17(4)12-9-11-16(2)3)47-32-27(40)24(37)22(35)20(45-32)15-42-30-28(41)25(38)29(19(6)44-30)46-31-26(39)23(36)21(34)18(5)43-31/h8,11,13,18-32,34-41H,1,9-10,12,14-15H2,2-7H3/b17-13+ |
| InChIKey | HIAIQDVRFUXFLS-GHRIWEEISA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (S)-Nerolidol 3-O-[a-L-rhamnopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->6)-b-D-glucopyranoside] (CHEBI:173307) is a oligosaccharide (CHEBI:50699) |
| IUPAC Name |
|---|
| 2-[4,5-dihydroxy-2-methyl-6-[[3,4,5-trihydroxy-6-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxyoxan-2-yl]methoxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol |
| Manual Xrefs | Databases |
|---|---|
| HMDB0040846 | HMDB |