**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

Feedback

Avermectin A1b

Properties

Image

Occurences in reactions

MNX_ID

MNXM1364390

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₄₈H₇₂O₁₄

charge

mass

873.09

reference

seedM:cpd08765

InChIKey

MNRHCELBXZARFX-MUIHLSLFSA-N

InChI

InChI=1S/C48H72O14/c1-25(2)41-28(5)17-18-47(62-41)23-34-20-33(61-47)16-15-27(4)42(59-39-22-37(53-10)44(31(8)57-39)60-38-21-36(52-9)40(49)30(7)56-38)26(3)13-12-14-32-24-55-45-43(54-11)29(6)19-35(46(50)58-34)48(32,45)51/h12-15,17-19,25-26,28,30-31,33-45,49,51H,16,20-24H2,1-11H3/b13-12+,27-15+,32-14-/t26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40-,41+,42-,43+,44-,45+,47+,48+/m0/s1

SMILES

[CH3:1][CH:25]([CH3:2])[C@@H:41]1[C@@H:28]([CH3:5])[CH:17]=[CH:18][C@:47]2([CH2:23][C@@H:34]3[CH2:20][C@@H:33]([CH2:16]/[CH:15]=[C:27](\[CH3:4])[C@@H:42]([O:59][C@H:39]4[CH2:22][C@H:37]([O:53][CH3:10])[C@@H:44]([O:60][C@H:38]5[CH2:21][C@H:36]([O:52][CH3:9])[C@@H:40]([OH:49])[C@H:30]([CH3:7])[O:56]5)[C@H:31]([CH3:8])[O:57]4)[C@@H:26]([CH3:3])/[CH:13]=[CH:12]/[CH:14]=[C:32]4/[CH2:24][O:55][C@@H:45]5[C@H:43]([O:54][CH3:11])[C:29]([CH3:6])=[CH:19][C@@H:35]([C:46](=[O:50])[O:58]3)[C@:48]45[OH:51])[O:61]2)[O:62]1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
seed.compound:cpd08765 seedM:cpd08765	Avermectin A1b Avermectin A1a, 25-de(1-methylpropyl)-25-(1-methylethyl)-
seedM:M_cpd08765	secondary/obsolete/fantasy identifier