Spectrum VF-NPL-QEHF010860 for [(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-[3,7,8-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-5-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl acetate

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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/C30H34O18/c1-9-18(34)22(38)25(41)29(44-9)48-28-23(39)20(36)16(8-43-10(2)31)46-30(28)45-15-7-13(33)19(35)27-17(15)21(37)24(40)26(47-27)11-4-5-12(32)14(6-11)42-3/h4-7,9,16,18,20,22-23,25,28-30,32-36,38-41H,8H2,1-3H3/t9-,16+,18-,20+,22+,23-,25+,28+,29-,30+/m0/s1
C30H34O18
682.174514248
O=C(OCC1OC(OC2=CC(O)=C(O)C=3OC(=C(O)C(=O)C23)C=4C=CC(O)=C(OC)C4)C(OC5OC(C)C(O)C(O)C5O)C(O)C1O)C
KBHXFAMQPPWLFT-NUXWGMRISA-N

Mass Spectral Metadata

NameValue
11
65HCD
MX_C2_819_p15_G03_NEG_QEHF_1350.raw
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
3.5374302213538074
0.6469259902140472
681.167236328125
[M-H]-
0.002818507537154001 ppm
-1.919874989653181E-6 Da