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Cochlioquinone A

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00547

Dataset description:

This MassBank record with Accession MSBNK-Fiocruz-FIO00547 contains the MS2 mass spectrum of Cochlioquinone A with the InChIkey MERDNJKHMKQNFC-PGCPQKQNSA-N.

Source: Cochlioquinone A

Chemical Info

molecular Image

InChI	InChI=1S/C30H44O8/c1-9-14(2)26(36-17(5)31)16(4)18-13-19(32)22-25(34)23-27(38-28(22)24(18)33)15(3)12-21-30(23,8)11-10-20(37-21)29(6,7)35/h13-16,20-21,23,25-27,34-35H,9-12H2,1-8H3/t14-,15-,16-,20+,21+,23?,25?,26+,27?,30-/m0/s1
SMILES	[C@@H]([C@@H](C)c(c4=O)cc(c(c41)C(C([C@@]32C)C([C@@H](C)C[C@]([H])2O[C@H](CC3)[C@](C)(C)O)O1)O)=O)([C@@H](C)CC)OC(C)=O
InChI Key	MERDNJKHMKQNFC-PGCPQKQNSA-N
Molecular Formula	C30H44O8
Exact Mass	532.304 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 4.0 International (CC BY-NC 4.0)
Id	8141eba6-9c40-46d5-8448-3cd434506a56
Package id	msbnk-fiocruz-fio00547
Resource type	HTML
State	active