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6'-Malonyl-3-Glu Medicarpin (NMR)

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS001021

Dataset description:

This MassBank record with Accession MSBNK-BS-BS001021 contains the MS2 mass spectrum of 6'-Malonyl-3-Glu Medicarpin (NMR) with the InChIkey BQAJKXKYTQTBDK-PCHDOLKHSA-N.

Source: 6'-Malonyl-3-Glu Medicarpin (NMR)

Chemical Info

molecular Image

InChI	InChI=1S/C25H26O12/c1-32-11-2-4-13-15-9-33-16-7-12(3-5-14(16)24(15)36-17(13)6-11)35-25-23(31)22(30)21(29)18(37-25)10-34-20(28)8-19(26)27/h2-7,15,18,21-25,29-31H,8-10H2,1H3,(H,26,27)/t15-,18+,21+,22-,23+,24-,25+/m0/s1
SMILES	C1(=CC=C2C(=C1)OC[C@@]3([C@]2(OC4=C3C=CC(OC)=C4)[H])[H])O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)COC(CC(=O)O)=O
InChI Key	BQAJKXKYTQTBDK-PCHDOLKHSA-N
Molecular Formula	C25H26O12
Exact Mass	518.142 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	34149c2f-e470-4729-b8d5-442a38556439
Package id	msbnk-bs-bs001021
Resource type	HTML
State	active