Spectrum VF-NPL-LTQ001516 for (2S,3S)-8-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

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  • Originally submitted to the Vaniya/Fiehn Natural Products Library

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
InChI=1S/C30H22O11/c31-14-5-1-12(2-6-14)28-24(25(37)21-17(34)9-16(33)10-20(21)40-28)22-18(35)11-19(36)23-26(38)27(39)29(41-30(22)23)13-3-7-15(32)8-4-13/h1-11,24,27-29,31-36,39H/t24-,27-,28+,29+/m1/s1
C30H22O11
558.116211524
O=C1C2=C(O)C=C(O)C(=C2OC(C3=CC=C(O)C=C3)C1O)C4C(=O)C=5C(O)=CC(O)=CC5OC4C6=CC=C(O)C=C6
AFDANKUHSLVEBJ-MBOHLOIDSA-N

Mass Spectral Metadata

NameValue
Linear Ion Trap
35
MX_C1_620_p15_G11_NEG_iTree_02.raw
negative
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
1.1984045471961933
0.5763107657395773
557.2560791015625
M-H
264.05019717273734 ppm
0.1471435775624741 Da