Search MNXref
 Feedback

Guavin B

PropertiesImage
MNX_IDMNXM126348 Image of MNXM126348
referencechebi:178153
formulaC33H26O17
global charge0
mol weight694.554
InChIKeyRPZNIDVYYGUDPA-JRFUOTGDSA-N
InChIInChI=1S/C33H26O17/c34-15-6-12(7-16(35)22(15)23(38)11-4-2-1-3-5-11)48-33-29(44)28(43)30-19(49-33)10-47-31(45)13-8-17(36)24(39)26(41)20(13)21-14(32(46)50-30)9-18(37)25(40)27(21)42/h1-9,19,28-30,33-37,39-44H,10H2/t19?,28-,29-,30?,33-/m1/s1
SMILESO=C1OCC2O[C@@H](OC3=CC(O)=C(C(=O)C4=CC=CC=C4)C(O)=C3)[C@H](O)[C@@H](O)C2OC(=O)C2=C(C(O)=C(O)C(O)=C2)C2=C1C=C(O)C(O)=C2O
MNX internals
InChI (mnx)InChI=1/C33H26O17/c34-15-6-12(7-16(35)22(15)23(38)11-4-2-1-3-5-11)48-33-29(44)28(43)30-19(49-33)10-47-31(45)13-8-17(36)24(39)26(41)20(13)21-14(32(46)50-30)9-18(37)25(40)27(21)42/h1-9,19,28-30,33-37,39-44H,10H2/t19?,28-,29-,30?,33-/m1/s1 Image of MNXM126348
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:11]([C:23]([C:22]2=[C:15]([OH:34])[CH:6]=[C:12]([O:48][C@H:33]3[C@H:29]([OH:44])[C@@H:28]([OH:43])[CH:30]4[CH:19]([CH2:10][O:47][C:31](=[O:45])[C:13]5=[CH:8][C:17]([OH:36])=[C:24]([OH:39])[C:26]([OH:41])=[C:20]5[C:21]5=[C:14]([CH:9]=[C:18]([OH:37])[C:25]([OH:40])=[C:27]5[OH:42])[C:32](=[O:46])[O:50]4)[O:49]3)[CH:7]=[C:16]2[OH:35])=[O:38])[CH:5]=[CH:3]1
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:178153
chebi:178153
RPZNIDVYYGUDPA-JRFUOTGDSA-N 		Guavin B
(11R,12R,13S)-13-(4-benzoyl-3,5-dihydroxyphenoxy)-3,4,5,11,12,21,22,23-octahydroxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaene-8,18-dione
hmdb:HMDB0033274
RPZNIDVYYGUDPA-UHFFFAOYSA-N 		Guavin B
1-Chloro-4-[5-(3-thienyl)-2-thienyl]-3-butyn-2-ol, 8ci
13-(4-benzoyl-3,5-dihydroxyphenoxy)-3,4,5,11,12,21,22,23-octahydroxy-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(23),2,4,6,19,21-hexaene-8,18-dione
Guavin b

hmdb:HMDB33274 		secondary/obsolete/fantasy identifier