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Isorhoifolin

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003226

Dataset description:

This MassBank record with Accession MSBNK-BS-BS003226 contains the MS2 mass spectrum of Isorhoifolin with the InChIkey FKIYLTVJPDLUDL-SLNHTJRHSA-N.

Source: Isorhoifolin

Chemical Info

molecular Image

InChI	InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1
SMILES	C(C1(C(C(C(C(O1)(OC(C2(C(C(C(C(O2)(OC3=C(C(=C4C(=C3[H])OC(=C(C4=O)[H])C5=C(C(=C(C(=C5[H])[H])O[H])[H])[H])O[H])[H])[H])(O[H])[H])(O[H])[H])(O[H])[H])[H])([H])[H])[H])(O[H])[H])(O[H])[H])(O[H])[H])[H])([H])([H])[H]
InChI Key	FKIYLTVJPDLUDL-SLNHTJRHSA-N
Molecular Formula	C27H30O14
Exact Mass	578.164 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	31658a8b-fc3f-456d-8f34-73264bb8094b
Package id	msbnk-bs-bs003226
Resource type	HTML
State	active