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

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Ponicidin

	Properties	Image
MNX_ID	MNXM108121
reference	chebi:67671
formula	C₂₀H₂₆O₆
global charge	0
mol weight	362.422
InChIKey	WHRDRHNMTIXZNY-OSMZMOMSSA-N
InChI	InChI=1S/C20H26O6/c1-8-9-4-5-10-18-11(21)6-7-17(2,3)12(18)14(23)20(24)19(10,13(8)22)15(9)25-16(18)26-20/h9-12,14-16,21,23-24H,1,4-7H2,2-3H3/t9-,10+,11+,12-,14+,15+,16+,18+,19+,20-/m1/s1
SMILES	C=C1C(=O)[C@@]23[C@H]4O[C@H]5O[C@]2(O)[C@@H](O)[C@@H]2C(C)(C)CC[C@H](O)[C@]52[C@@H]3CC[C@H]14

MNX internals

InChI (mnx)	InChI=1/C20H26O6/c1-8-9-4-5-10-18-11(21)6-7-17(2,3)12(18)14(23)20(24)19(10,13(8)22)15(9)25-16(18)26-20/h9-12,14-16,21,23-24H,1,4-7H2,2-3H3/t9-,10+,11+,12-,14+,15+,16+,18+,19+,20-/m1/s1
SMILES (mnx)	[CH2:1]=[C:8]1[C@H:9]2[CH2:4][CH2:5][C@H:10]3[C@:18]45[C@@H:11]([OH:21])[CH2:6][CH2:7][C:17]([CH3:2])([CH3:3])[C@H:12]4[C@H:14]([OH:23])[C@:20]4([OH:24])[C@@:19]3([C:13]1=[O:22])[C@H:15]2[O:25][C@H:16]5[O:26]4

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:67671 chebi:67671 WHRDRHNMTIXZNY-OSMZMOMSSA-N	Ponicidin (1-alpha,6-beta,7-alpha,14S,20S)-7,20:14,20-Diepoxy-1,6,7-trihydroxy-ent-kaur-16-en-15-one Rubescensin B
hmdb:HMDB0242347 WHRDRHNMTIXZNY-UHFFFAOYSA-N	(1R,9S,14S,15R,19S)-13,14,19-Trihydroxy-16,16-dimethyl-6-methylidene-10,12-dioxahexacyclo[9.8.0.01,15.02,8.05,9.08,13]nonadecan-7-one 13,14,19-trihydroxy-16,16-dimethyl-6-methylidene-10,12-dioxahexacyclo[9.8.0.0¹,¹⁵.0²,⁸.0⁵,⁹.0⁸,¹³]nonadecan-7-one Ponicidin