Spectrum CCMSLIB00000849923 for NCGC00381227-01_C31H40O10_

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
n/a
n/a
InChI=1S/C31H40O10/c1-5-14(2)24(35)39-21-10-20(34)30-18-9-19(33)29(13-38-26(30)40-25(36)28(18,21)4)23(30)17(32)11-27(3)16(15-6-7-37-12-15)8-22-31(27,29)41-22/h6-7,12,14,16,18-23,25-26,33-34,36H,5,8-11,13H2,1-4H3
C31H40O10
572.26214748
O=C(OC1CC(O)C23C4OCC5(C(O)CC2C1(C)C(O)O4)C3C(=O)CC6(C)C(C7=COC=C7)CC8OC865)C(C)CC
QATFYHWTNMSERU-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
572.262
1
negative
A2_GA2_01_8450.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE
mwang87, Jadhav/Dorrestein, lfnothias
2.4955780063302884
0.7267289764710837
617.26
[M+FA-H]-