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Notoginsenoside N

Properties

Image

Occurences in reactions

MNX_ID

MNXM128771

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₄₈H₈₂O₁₉

charge

mass

962.54503

reference

chebi:143055

InChIKey

XYDGLABNHGXTRN-UHFFFAOYSA-N

InChI

InChI=1S/C48H82O19/c1-21(2)10-9-13-48(8,67-43-37(60)34(57)32(55)26(19-50)64-43)22-11-15-46(6)30(22)23(52)16-28-45(5)14-12-29(53)44(3,4)40(45)24(17-47(28,46)7)62-41-38(61)35(58)39(27(20-51)65-41)66-42-36(59)33(56)31(54)25(18-49)63-42/h10,22-43,49-61H,9,11-20H2,1-8H3

SMILES

CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)CC12C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:143055 chebi:143055	Notoginsenoside N
hmdb:HMDB0039945	Notoginsenoside N 2-{[2-(8-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,16-dihydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)-6-methylhept-5-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
hmdb:HMDB39945	secondary/obsolete/fantasy identifier