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5(S)-5-carboxystrictosidine

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR300255

Dataset description:

This MassBank record with Accession MSBNK-RIKEN-PR300255 contains the MS2 mass spectrum of 5(S)-5-carboxystrictosidine with the InChIkey LHKZIVMTXZLOTP-RMKGEEGASA-N.

Source: 5(S)-5-carboxystrictosidine

Chemical Info

molecular Image

InChI	InChI=1S/C28H34N2O11/c1-3-12-14(8-18-21-15(9-19(29-18)25(35)36)13-6-4-5-7-17(13)30-21)16(26(37)38-2)11-39-27(12)41-28-24(34)23(33)22(32)20(10-31)40-28/h3-7,11-12,14,18-20,22-24,27-34H,1,8-10H2,2H3,(H,35,36)/t12-,14+,18+,19+,20-,22-,23+,24-,27+,28+/m1/s1
SMILES	COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](C=C)[C@@H]1C[C@@H]1N[C@@H](CC2=C1NC1=CC=CC=C21)C(O)=O
InChI Key	LHKZIVMTXZLOTP-RMKGEEGASA-N
Molecular Formula	C28H34N2O11
Exact Mass	574.583 g/mol

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Additional Information

Field	Value
Data last updated	January 11, 2024
Metadata last updated	January 11, 2024
Created	January 11, 2024
Format	HTML
License	Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)
Id	c04211bb-3d3c-488a-b850-636d6eaa7b46
Package id	msbnk-riken-pr300255
Resource type	HTML
State	active