Dataset

Bassanolide

This MassBank record with Accession MSBNK-AAFC-AC000421 contains the MS2 mass spectrum of Bassanolide with the InChIkey QVZZPLDJERFENQ-NKTUOASPSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C48H84N4O12/c1-25(2)21-33-45(57)61-38(30(11)12)42(54)50(18)35(23-27(5)6)47(59)63-40(32(15)16)44(56)52(20)36(24-28(7)8)48(60)64-39(31(13)14)43(55)51(19)34(22-26(3)4)46(58)62-37(29(9)10)41(53)49(33)17/h25-40H,21-24H2,1-20H3/t33-,34-,35-,36-,37+,38+,39+,40+/m0/s1
SMILES CC(C)C[C@H]1C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N1C)C(C)C)CC(C)C)C)C(C)C)CC(C)C)C)C(C)C)CC(C)C)C)C(C)C
InChI Key QVZZPLDJERFENQ-NKTUOASPSA-N
Molecular Formula C48H84N4O12
Exact Mass 908.609 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000421
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MetadataCreated 2024-01-11T09:23:43.770646
MetadataModified 2025-02-08T18:37:12.331753
MetadataPublished 2017-07-07
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