Malonylapiin
Molecular Formula:
C29H30O17
InChI: InChI=1/C29H30O17/c30-10-29(40)11-42-28(26(29)39)46-25-24(38)23(37)19(9-41-21(36)8-20(34)35)45-27(25)43-14-5-15(32)22-16(33)7-17(44-18(22)6-14)12-1-3-13(31)4-2-12/h1-7,19,23-28,30-32,37-40H,8-11H2,(H,34,35)/t19-,23-,24+,25-,26+,27-,28+,29-/m1/s1/f/h34H
InChIKey: InChIKey=JNAHTYWPEQLJRT-GJRFNIJSDQ
SMILES: C1C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)COC(=O)CC(=O)O)O)O)O)(CO)O
Names:
C05622
Malonylapiin
3-[[(2R,3S,4S,5R,6S)-5-[(2S,3S,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-7-yl]oxy-oxan-2-yl]methoxy]-3-oxo-propanoic acid
Registries:
PubChem CID 5280803
PubChem ID 7939
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