Dataset
Scaposin
Chemical Info
InChI | InChI=1S/C19H18O9/c1-24-12-6-8(5-10(21)16(12)25-2)11-7-9(20)13-14(22)18(26-3)15(23)19(27-4)17(13)28-11/h5-7,21-23H,1-4H3 |
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SMILES | O=C1C=2C(OC(=C1[H])C=3C(=C(O[H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C3[H])[H])=C(OC([H])([H])[H])C(O[H])=C(OC([H])([H])[H])C2O[H] |
InChI Key | NYKXAPFHNLNAIJ-UHFFFAOYSA-N |
Molecular Formula | C19H18O9 |
Exact Mass | 390.095 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-nc-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003670 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T12:36:02.310982 |
MetadataModified | 2024-01-11T12:36:02.460573 |
MetadataPublished | 2017-12-01 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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633124 | PubChem |
ZINC000015271825 | ZINC |
LMPK12111488 | LipidMaps |
J14.243C | Nikkaji |
196371 | ChEBI |
The data in this table is sourced from UniChem at EBI. |