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beta-PC-M6

MNXM129095 is deprecated and replaced by MNXM1100323

Properties

Image

Occurences in reactions

MNX_ID

MNXM1100323

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	0

formula

C₂₇H₃₅NO₃

charge

mass

421.26169

reference

keggC:C20535

InChIKey

FROHWGGMFSFTTA-PEYQONPESA-N

InChI

InChI=1S/C27H35NO3/c1-25(2,30)24-21(29)14-18-19-10-9-15-13-17-16-7-5-6-8-20(16)28-23(17)27(15,4)26(19,3)12-11-22(18)31-24/h5-8,14-15,19,21-22,24,28-30H,9-13H2,1-4H3/t15-,19-,21+,22-,24-,26-,27+/m0/s1

SMILES

CC(C)(O)[C@H]1O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=C[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
kegg.compound:C20535 keggC:C20535	beta-PC-M6 beta-10-Hydroxy-12-demethyl-11,12-dehydropaspaline
metacyc.compound:CPD-16742 metacycM:CPD-16742	beta-10-hydroxy-12-demethyl-11,12-dehydropaspaline beta-PC-M6
seed.compound:cpd31176 seedM:cpd31176	beta-PC-M6 beta-10-Hydroxy-12-demethyl-11,12-dehydropaspaline beta-10-hydroxy-12-demethyl-11,12-dehydropaspaline
keggC:M_C20535 seedM:M_cpd31176	secondary/obsolete/fantasy identifier