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Physalin A

PropertiesImage
MNX_IDMNXM129645 Image of MNXM129645
referencechebi:191715
formulaC28H30O10
global charge0
mol weight526.538
InChIKeyVELDODQHYQSJOF-RPKVKFPNSA-N
InChIInChI=1S/C28H30O10/c1-12-21(32)36-17-11-23(12,2)19-20(31)27(35)18-14(24(3)13(10-15(18)29)6-5-7-16(24)30)8-9-26(34)22(33)37-25(17,4)28(19,26)38-27/h5,7,10,14-15,17-19,29,34-35H,1,6,8-9,11H2,2-4H3/t14-,15+,17+,18-,19-,23+,24-,25-,26-,27+,28-/m0/s1
SMILESC=C1C(=O)O[C@@H]2C[C@@]1(C)[C@@H]1C(=O)[C@]3(O)O[C@]14[C@@]2(C)OC(=O)[C@@]4(O)CC[C@H]1[C@H]3[C@H](O)C=C2CC=CC(=O)[C@@]21C
MNX internals
InChI (mnx)InChI=1/C28H30O10/c1-12-21(32)36-17-11-23(12,2)19-20(31)27(35)18-14(24(3)13(10-15(18)29)6-5-7-16(24)30)8-9-26(34)22(33)37-25(17,4)28(19,26)38-27/h5,7,10,14-15,17-19,29,34-35H,1,6,8-9,11H2,2-4H3/t14-,15+,17+,18-,19-,23+,24-,25-,26-,27+,28-/m0/s1 Image of MNXM129645
SMILES (mnx)[CH2:1]=[C:12]1[C:21](=[O:32])[O:36][C@@H:17]2[CH2:11][C@@:23]1([CH3:2])[C@@H:19]1[C:20](=[O:31])[C@@:27]3([OH:35])[C@H:18]4[C@H:14]([CH2:8][CH2:9][C@:26]5([OH:34])[C:22](=[O:33])[O:37][C@:25]2([CH3:4])[C@@:28]15[O:38]3)[C@:24]1([CH3:3])[C:13](=[CH:10][C@H:15]4[OH:29])[CH2:6][CH:5]=[CH:7][C:16]1=[O:30]
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
IdentifierDescription

CHEBI:191715
chebi:191715
VELDODQHYQSJOF-RPKVKFPNSA-N 		Physalin A
(1S,2S,3R,5R,6S,7R,14R,15S,18R,21S,22R)-5,7,18-trihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone
hmdb:HMDB0033773
VELDODQHYQSJOF-UHFFFAOYSA-N 		Physalin A
20-Hydroxy-3-taraxastanone
5,7,18-trihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.1²,⁵.0³,¹⁸.0³,²¹.0⁶,¹⁵.0⁹,¹⁴]heptacosa-8,11-diene-13,19,24,27-tetrone
Physalin a
Y-taraxastanonol
g-Taraxastanonol
gamma-taraxastanonol

hmdb:HMDB33773 		secondary/obsolete/fantasy identifier