MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

Feedback

Ananosin A

	Properties	Image
MNX_ID	MNXM102736
reference	chebi:67454
formula	C₂₈H₃₄O₉
global charge	0
mol weight	514.571
InChIKey	YREZDJJVCCDBTG-INQFUDPWSA-N
InChI	InChI=1S/C28H34O9/c1-9-13(2)28(30)37-23-15(4)14(3)22(29)16-10-19-25(36-12-35-19)27(34-8)20(16)21-17(23)11-18(31-5)24(32-6)26(21)33-7/h9-11,14-15,22-23,29H,12H2,1-8H3/b13-9+/t14-,15+,22-,23-/m1/s1
SMILES	C/C=C(\C)C(=O)O[C@H]1C2=C(C(OC)=C(OC)C(OC)=C2)C2=C(C=C3OCOC3=C2OC)[C@H](O)[C@H](C)[C@@H]1C

MNX internals

InChI (mnx)	InChI=1/C28H34O9/c1-9-13(2)28(30)37-23-15(4)14(3)22(29)16-10-19-25(36-12-35-19)27(34-8)20(16)21-17(23)11-18(31-5)24(32-6)26(21)33-7/h9-11,14-15,22-23,29H,12H2,1-8H3/b13-9+/t14-,15+,22-,23-/m1/s1
SMILES (mnx)	[CH3:1]/[CH:9]=[C:13](\[CH3:2])[C:28](=[O:30])[O:37][C@@H:23]1[C@@H:15]([CH3:4])[C@@H:14]([CH3:3])[C@@H:22]([OH:29])[C:16]2=[CH:10][C:19]3=[C:25]([C:27]([O:34][CH3:8])=[C:20]2[C:21]2=[C:17]1[CH:11]=[C:18]([O:31][CH3:5])[C:24]([O:32][CH3:6])=[C:26]2[O:33][CH3:7])[O:36][CH2:12][O:35]3

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:67454 chebi:67454 YREZDJJVCCDBTG-INQFUDPWSA-N	Ananosin A 2-butenoic acid, 2-methyl-, (5R,6S,7R,8R)-5,6,7,8-tetrahydro-8-hydroxy-1,2,3,13-tetramethoxy-6,7-dimethylbenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-5-yl ester, (2E)-