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Kaempferol-3-O-robinoside-7-O-rhamnoside

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR302049

Dataset description:

This MassBank record with Accession MSBNK-RIKEN-PR302049 contains the MS2 mass spectrum of Kaempferol-3-O-robinoside-7-O-rhamnoside with the InChIkey PEFASEPMJYRQBW-HKWQTAEVSA-N.

Source: Kaempferol-3-O-robinoside-7-O-rhamnoside

Chemical Info

molecular Image

InChI	InChI=1S/C33H40O19/c1-10-19(36)23(40)26(43)31(47-10)46-9-17-21(38)25(42)28(45)33(51-17)52-30-22(39)18-15(35)7-14(49-32-27(44)24(41)20(37)11(2)48-32)8-16(18)50-29(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-28,31-38,40-45H,9H2,1-2H3/t10-,11-,17+,19-,20-,21-,23+,24+,25-,26+,27+,28+,31+,32-,33-/m0/s1
SMILES	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
InChI Key	PEFASEPMJYRQBW-HKWQTAEVSA-N
Molecular Formula	C33H40O19
Exact Mass	740.664 g/mol

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Additional Information

Field	Value
Data last updated	January 11, 2024
Metadata last updated	January 11, 2024
Created	January 11, 2024
Format	HTML
License	Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)
Id	559ba24a-7f37-413b-b471-4322b9ca2bc4
Package id	msbnk-riken-pr302049
Resource type	HTML
State	active