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Grayanotoxin II

PropertiesImage
MNX_IDMNXM1128468 Image of MNXM1128468
referencechebi:166677
formulaC20H32O5
global charge0
mol weight352.471
InChIKeyKEOQZUCOGXIEQR-OFCBZQNDSA-N
InChIInChI=1S/C20H32O5/c1-10-11-5-6-12-16(23)19(11,9-18(12,4)24)8-15(22)20(25)13(10)7-14(21)17(20,2)3/h11-16,21-25H,1,5-9H2,2-4H3/t11-,12+,13-,14-,15-,16+,18+,19-,20-/m0/s1
SMILESC=C1[C@@H]2CC[C@@H]3[C@@H](O)[C@@]2(C[C@H](O)[C@@]2(O)[C@H]1C[C@H](O)C2(C)C)C[C@@]3(C)O
MNX internals
InChI (mnx)InChI=1/C20H32O5/c1-10-11-5-6-12-16(23)19(11,9-18(12,4)24)8-15(22)20(25)13(10)7-14(21)17(20,2)3/h11-16,21-25H,1,5-9H2,2-4H3/t11-,12+,13-,14-,15-,16+,18+,19-,20-/m0/s1 Image of MNXM1128468
SMILES (mnx)[CH2:1]=[C:10]1[C@@H:11]2[CH2:5][CH2:6][C@@H:12]3[C@@H:16]([OH:23])[C@@:19]2([CH2:8][C@H:15]([OH:22])[C@@:20]2([OH:25])[C@H:13]1[CH2:7][C@H:14]([OH:21])[C:17]2([CH3:2])[CH3:3])[CH2:9][C@@:18]3([CH3:4])[OH:24]
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:166677
chebi:166677
KEOQZUCOGXIEQR-OFCBZQNDSA-N
Grayanotoxin II
(1S,3R,4R,6S,8S,10S,13R,14R,16R)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,14,16-pentol