Spectrum PM000423 for Amentoflavone

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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
538.09
InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H
YUSWMAULDXZHPY-UHFFFAOYSA-N
C30H18O10
538.089996776
O=C1C=C(OC=2C=C(O)C=C(O)C12)C=3C=CC(O)=C(C3)C4=C(O)C=C(O)C=5C(=O)C=C(OC54)C=6C=CC(O)=CC6

Mass Spectral Metadata

NameValue
PM000423
Sanchez-Rabaneda F, et al.
Copyright(C) 2012 Plant Science Center, RIKEN
H2O/NH3CN/HCOOH
QqQ
API 3000
-40
ESI
negative
Theobroma cacao
[M-H]-
MS2
0.6704776487973955
0.9672947789468945
537
[M-H]-
154.04241340777233 ppm
-0.08272077599997374 Da