Feedback

beta-peltatin

Properties

Image

Occurences in reactions

MNX_ID

MNXM13300

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₂₂H₂₂O₈

charge

mass

414.13147

reference

chebi:74867

InChIKey

HLBPOYVRLSXWJJ-PDSMFRHLSA-N

InChI

InChI=1S/C22H22O8/c1-25-14-5-10(6-15(26-2)20(14)27-3)17-12-7-16-21(30-9-29-16)19(23)13(12)4-11-8-28-22(24)18(11)17/h5-7,11,17-18,23H,4,8-9H2,1-3H3/t11-,17+,18-/m0/s1

SMILES

COc1cc([C@@H]2c3cc4c(c(O)c3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:74867 chebi:74867	beta-peltatin (-)-beta-peltatin (5R,5aR,8aR)-10-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one AI3-50532 BRN 0099483 NSC 24819 beta-peltatin A peltatin methyl ether
metacyc.compound:CPD-8960 metacycM:CPD-8960 seed.compound:cpd25513 seedM:cpd25513	beta-peltatin
seedM:M_cpd25513	secondary/obsolete/fantasy identifier