Spectrum VF-NPL-LTQ001141 for (9R,10R)-10-hydroxy-8,8-dimethyl-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dihydropyrano[2,3-f]chromen-2-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/C20H24O10/c1-20(2)18(29-19-16(26)15(25)13(23)10(7-21)27-19)14(24)12-9(30-20)5-3-8-4-6-11(22)28-17(8)12/h3-6,10,13-16,18-19,21,23-26H,7H2,1-2H3/t10-,13-,14-,15+,16-,18-,19+/m1/s1
C20H24O10
424.13694696799996
O=C1OC2=C(C=C1)C=CC=3OC(C)(C)C(OC4OC(CO)C(O)C(O)C4O)C(O)C32
QAUDHOGPLBDVAX-GZFODPQLSA-N

Mass Spectral Metadata

NameValue
35
MX_C1_464_p06_H02_04_POS_iTree_05.raw
positive
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
1.7001793068606366
0.7737849487018891
463.05263787346917
M+NH4
45085.82653010159 ppm
20.87711090546918 Da