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Ephedrannin A

PropertiesImage
MNX_IDMNXM125280 Image of MNXM125280
referencechebi:178150
formulaC30H20O11
global charge0
mol weight556.479
InChIKeyGPBSBBVDERLESN-QZFRTWIZSA-N
InChIInChI=1S/C30H20O11/c31-14-5-1-12(2-6-14)27-26(37)25(36)22-18(35)11-20-23(28(22)39-27)24-21-17(34)9-16(33)10-19(21)40-30(41-20,29(24)38)13-3-7-15(32)8-4-13/h1-11,24,29,31-35,37-38H/t24-,29-,30+/m0/s1
SMILESO=C1C(O)=C(C2=CC=C(O)C=C2)OC2=C1C(O)=CC1=C2[C@@H]2C3=C(C=C(O)C=C3O)O[C@](C3=CC=C(O)C=C3)(O1)[C@H]2O
MNX internals
InChI (mnx)InChI=1/C30H20O11/c31-14-5-1-12(2-6-14)27-26(37)25(36)22-18(35)11-20-23(28(22)39-27)24-21-17(34)9-16(33)10-19(21)40-30(41-20,29(24)38)13-3-7-15(32)8-4-13/h1-11,24,29,31-35,37-38H/t24-,29-,30+/m0/s1 Image of MNXM125280
SMILES (mnx)[CH:1]1=[CH:5][C:14]([OH:31])=[CH:6][CH:2]=[C:12]1[C:27]1=[C:26]([OH:37])[C:25](=[O:36])[C:22]2=[C:18]([OH:35])[CH:11]=[C:20]3[C:23](=[C:28]2[O:39]1)[C@@H:24]1[C:21]2=[C:17]([OH:34])[CH:9]=[C:16]([OH:33])[CH:10]=[C:19]2[O:40][C@@:30]([C:13]2=[CH:4][CH:8]=[C:15]([OH:32])[CH:7]=[CH:3]2)([C@H:29]1[OH:38])[O:41]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
IdentifierDescription

CHEBI:178150
chebi:178150
GPBSBBVDERLESN-QZFRTWIZSA-N 		Ephedrannin A
(1S,13R,21S)-6,9,17,19,21-pentahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),5,9,15,17,19-heptaen-7-one
hmdb:HMDB0037654
GPBSBBVDERLESN-QZFRTWIZSA-N 		Ephedrannin A
(1S,13R,21S)-6,9,17,19,21-pentahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0^{2,11}.0^{3,8}.0^{15,20}]henicosa-2(11),3(8),5,9,15(20),16,18-heptaen-7-one
3,4',5,7-Tetrahydroxyflavan(2->7,4->8)-3,4',5,7-tetrahydroxyflavone
3,5,11,13,15-Pentahydroxy-2,8-bis(4-hydroxyphenyl)-8,14-methano-4H,14H-1-benzopyrano[7,8-D][1,3]benzodioxocin-4-one, 9ci
Ephedrannin a
ent-Epiafzelechin(2a->o-7,4a->8)kaempferol

lipidmaps:LMPK12030017
lipidmapsM:LMPK12030017
GPBSBBVDERLESN-QZFRTWIZSA-N 		Ephedrannin A
3,4',5,7-Tetrahydroxyflavan(2->7,4->8)-3,4',5,7-tetrahydroxyflavone
Ent-Epiafzelechin(2a->O-7,4a->8)kaempferol

hmdb:HMDB37654 		secondary/obsolete/fantasy identifier