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

erinacine B

Properties Image MNX_ID MNXM1559901 reference metacycM:CPD-26058 formula C25H36O6 global charge 0 mol weight 432.557 InChIKey BEECYWPPXWUPIT-ZCKYJUNOSA-N InChI InChI=1S/C25H36O6/c1-13(2)15-7-8-24(3)9-10-25(4)16(18(15)24)6-5-14(11-26)20-22(25)31-23-21(30-20)19(28)17(27)12-29-23/h5,11,13,16-17,19-23,27-28H,6-10,12H2,1-4H3/t16-,17-,19+,20-,21-,22+,23+,24-,25-/m1/s1 SMILES CC(C)C1=C2[C@H]3CC=C(C=O)[C@H]4O[C@H]5[C@@H](OC[C@@H](O)[C@@H]5O)O[C@@H]4[C@]3(C)CC[C@@]2(C)CC1 MNX internals InChI (mnx) InChI=1/C25H36O6/c1-13(2)15-7-8-24(3)9-10-25(4)16(18(15)24)6-5-14(11-26)20-22(25)31-23-21(30-20)19(28)17(27)12-29-23/h5,11,13,16-17,19-23,27-28H,6-10,12H2,1-4H3/t16-,17-,19+,20-,21-,22+,23+,24-,25-/m1/s1 SMILES (mnx) [CH3:1][CH:13]([CH3:2])[C:15]1=[C:18]2[C@H:16]3[CH2:6][CH:5]=[C:14]([CH:11]=[O:26])[C@@H:20]4[C@@H:22]([C@:25]3([CH3:4])[CH2:10][CH2:9][C@@:24]2([CH3:3])[CH2:8][CH2:7]1)[O:31][C@H:23]1[C@@H:21]([C@@H:19]([OH:28])[C@H:17]([OH:27])[CH2:12][O:29]1)[O:30]4

Parent-child relations graph

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

Similar chemical compounds in external resources

Identifier	Description
metacyc.compound:CPD-26058 metacycM:CPD-26058 BEECYWPPXWUPIT-ZCKYJUNOSA-N	erinacine B 17,18-dihydroxy-2,5-dimethyl-8-propan-2-yl-15,20,22-trioxapentacyclo[12.8.0.02,10.05,9.016,21]docosa-8,12-diene-13-carbaldehyde