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

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Physalin P

	Properties	Image
MNX_ID	MNXM129656
reference	chebi:192028
formula	C₂₈H₃₀O₁₀
global charge	0
mol weight	526.538
InChIKey	WKKNNSSKEXVLKY-UHFFFAOYSA-N
InChI	InChI=1S/C28H30O10/c1-22-11-17-24(3)27-13(19(31)37-24)6-7-15-23(2)16(29)5-4-8-25(23,33)9-10-26(15,34)28(20(22)27,21(32)38-27)35-12-14(22)18(30)36-17/h4-5,9-10,13-15,17,20,33-34H,6-8,11-12H2,1-3H3
SMILES	CC12CC3OC(=O)C1COC14C(=O)OC5(C(CCC6C1(O)C=CC1(O)CC=CC(=O)C61C)C(=O)OC35C)C24

MNX internals

InChI (mnx)	InChI=1/C28H30O10/c1-22-11-17-24(3)27-13(19(31)37-24)6-7-15-23(2)16(29)5-4-8-25(23,33)9-10-26(15,34)28(20(22)27,21(32)38-27)35-12-14(22)18(30)36-17/h4-5,9-10,13-15,17,20,33-34H,6-8,11-12H2,1-3H3/t13?,14?,15?,17?,20?,22?,23?,24?,25?,26?,27?,28?
SMILES (mnx)	[CH3:1][C:22]12[CH2:11][CH:17]3[C:24]4([CH3:3])[C:27]56[CH:13]([CH2:6][CH2:7][CH:15]7[C:23]8([CH3:2])[C:16](=[O:29])[CH:5]=[CH:4][CH2:8][C:25]8([OH:33])[CH:9]=[CH:10][C:26]7([OH:34])[C:28]([CH:20]15)([C:21](=[O:32])[O:38]6)[O:35][CH2:12][CH:14]2[C:18](=[O:30])[O:36]3)[C:19](=[O:31])[O:37]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:192028 chebi:192028 WKKNNSSKEXVLKY-UHFFFAOYSA-N	Physalin P 14,17-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.2.01,5.02,24.08,17.09,14.018,27.021,26]nonacosa-11,15-diene-4,10,22,29-tetrone
hmdb:HMDB0039639 WKKNNSSKEXVLKY-UHFFFAOYSA-N	Physalin P 14,17-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.2.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0¹⁸,²⁷.0²¹,²⁶]nonacosa-11,15-diene-4,10,22,29-tetrone
hmdb:HMDB39639	secondary/obsolete/fantasy identifier