Feedback

Gumoside A

Properties

Image

Occurences in reactions

MNX_ID

MNXM105476

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

formula

C₃₅H₄₈O₁₄

charge

mass

692.30441

reference

chebi:70606

InChIKey

NYTFNIAPHAVHOA-ORYSZERHSA-N

InChI

InChI=1S/C35H48O14/c1-17-11-22(48-31-28(41)27(40)26(39)23(49-31)14-45-32-30(42)35(43,15-36)16-46-32)29-33(2,3)24(37)9-10-34(29,4)20(17)13-44-19-7-5-18-6-8-25(38)47-21(18)12-19/h5-8,12,20,22-24,26-32,36-37,39-43H,1,9-11,13-16H2,2-4H3/t20-,22-,23-,24-,26-,27+,28-,29-,30+,31-,32-,34+,35-/m1/s1

SMILES

C=C1C[C@@H](O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@H]1COc1ccc2ccc(=O)oc2c1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:70606 chebi:70606	Gumoside A