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Fumonisin Py4

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000944

Dataset description:

This MassBank record with Accession MSBNK-AAFC-AC000944 contains the MS2 mass spectrum of Fumonisin Py4 with the InChIkey PUZDIGQDECBVJT-FLTFDZFMSA-N.

Source: Fumonisin Py4

Chemical Info

molecular Image

InChI	InChI=1S/C34H56O14/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/h21-22,24-27,32,36H,5-20H2,1-4H3,(H,37,38)(H,39,40)(H,43,44)(H,45,46)/t21-,22+,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(C)=O)C)C
InChI Key	PUZDIGQDECBVJT-FLTFDZFMSA-N
Molecular Formula	C34H56O14
Exact Mass	688.367 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	6d35298c-78e8-4b8c-bc28-61621376732f
Package id	msbnk-aafc-ac000944
Resource type	HTML
State	active