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Fumonisin La4

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000935

Dataset description:

This MassBank record with Accession MSBNK-AAFC-AC000935 contains the MS2 mass spectrum of Fumonisin La4 with the InChIkey ROPHOAFGZRNKDO-SNXTYUPGSA-N.

Source: Fumonisin La4

Chemical Info

molecular Image

InChI	InChI=1S/C34H58O14/c1-5-6-14-22(3)32(48-31(42)20-25(34(45)46)18-29(39)40)27(47-30(41)19-24(33(43)44)17-28(37)38)16-21(2)13-11-9-7-8-10-12-15-26(36)23(4)35/h21-27,32,35-36H,5-20H2,1-4H3,(H,37,38)(H,39,40)(H,43,44)(H,45,46)/t21-,22+,23?,24+,25+,26-,27-,32+/m0/s1
SMILES	CCCC[C@H]([C@@H](OC(C[C@H](C(O)=O)CC(O)=O)=O)[C@@H](OC(C[C@H](C(O)=O)CC(O)=O)=O)C[C@H](CCCCCCCC[C@H](O)C(O)C)C)C
InChI Key	ROPHOAFGZRNKDO-SNXTYUPGSA-N
Molecular Formula	C34H58O14
Exact Mass	690.383 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-ShareAlike 4.0 International (CC BY-SA 4.0)
Id	d2fd605e-961d-40ec-9927-27e3a5e36df8
Package id	msbnk-aafc-ac000935
Resource type	HTML
State	active