Spectrum PM013908 for 6,8-di-C-Glucosylapigenin

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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
594.16
InChI=1S/C27H30O15/c28-6-12-17(32)21(36)23(38)26(41-12)15-19(34)14-10(31)5-11(8-1-3-9(30)4-2-8)40-25(14)16(20(15)35)27-24(39)22(37)18(33)13(7-29)42-27/h1-5,12-13,17-18,21-24,26-30,32-39H,6-7H2/t12-,13-,17-,18-,21+,22+,23-,24-,26+,27+/m1/s1
FIAAVMJLAGNUKW-VQVVXJKKSA-N
C27H30O15
594.1584702600001
O=C1C=C(OC2=C1C(O)=C(C(O)=C2C3OC(CO)C(O)C(O)C3O)C4OC(CO)C(O)C(O)C4O)C=5C=CC(O)=CC5

Mass Spectral Metadata

NameValue
PM013908
Zhang Y, Shi P, Qu H, & Cheng Y
Copyright(C) 2012 Plant Science Center, RIKEN
H2O/CH3CN/HCOOH
QIT
LCQ Deca Xpplus
40%
ESI
negative
Erigeron breviscapus
[M-H]-
MS2
1.2997204174774366
0.7253877765397808
593
[M-H]-
254.96502529512836 ppm
-0.15119426000001113 Da