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Physalin E acetate

Properties

Image

Occurences in reactions

MNX_ID

MNXM129648

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

formula

C₃₀H₃₄O₁₂

charge

mass

586.20503

reference

hmdb:HMDB0031878

InChIKey

RDXUOLZCAJWFGV-UHFFFAOYSA-N

InChI

InChI=1S/C30H34O12/c1-13(31)39-16-10-27(36)8-5-6-17(32)25(27,3)14-7-9-28(37)23(35)41-26(4)18-11-24(2)15(22(34)40-18)12-38-29(19(14)16)21(33)20(24)30(26,28)42-29/h5-6,14-16,18-20,36-37H,7-12H2,1-4H3

SMILES

CC(=O)OC1CC2(O)CC=CC(=O)C2(C)C2CCC3(O)C(=O)OC4(C)C5CC6(C)C(COC7(OC34C6C7=O)C12)C(=O)O5

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0031878	Physalin E acetate 5,14-Dihydroxy-2,9,26-trimethyl-4,10,22,29-tetraoxo-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacos-11-en-16-yl acetic acid 5,14-dihydroxy-2,9,26-trimethyl-4,10,22,29-tetraoxo-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacos-11-en-16-yl acetate N-g-Glutamyl-S-allylcysteine N-gamma-glutamyl-S-allylcysteine Physalin e acetic acid
hmdb:HMDB31878	secondary/obsolete/fantasy identifier