Dataset

S4:17(P3:15/F1:2)

Chemical Info

InChI	InChI=1S/C29H48O15/c1-5-8-11-20(34)40-23-18(14-30)39-28(44-29(16-32)27(37)24(38-17(4)33)19(15-31)43-29)26(42-22(36)13-10-7-3)25(23)41-21(35)12-9-6-2/h18-19,23-28,30-32,37H,5-16H2,1-4H3
SMILES	CCCCC(=O)OC1C(CO)OC(OC2(CO)OC(CO)C(OC(C)=O)C2O)C(OC(=O)CCCC)C1OC(=O)CCCC
InChI Key	AKPIJPQIDBGCGR-UHFFFAOYSA-N
Molecular Formula	C29H48O15
Exact Mass	636.688 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR309008
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T20:38:13.599972
MetadataModified	2024-01-11T20:38:13.755786
MetadataPublished	2019-03-28

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
139291780	PubChem
The data in this table is sourced from UniChem at EBI.