Search MNXref
 Feedback

(3b,6b,8a,12a)-8,12-Epoxy-7(11)-eremophilene-6,8,12-trimethoxy-3-ol

PropertiesImage
MNX_IDMNXM115060 Image of MNXM115060
referencechebi:172554
formulaC18H30O5
global charge0
mol weight326.433
InChIKeyCLQUNRBWTPVVAG-UHFFFAOYSA-N
InChIInChI=1S/C18H30O5/c1-10-14-15(20-4)17(3)11(2)13(19)8-7-12(17)9-18(14,22-6)23-16(10)21-5/h11-13,15-16,19H,7-9H2,1-6H3
SMILESCOC1OC2(OC)CC3CCC(O)C(C)C3(C)C(OC)C2=C1C
MNX internals
InChI (mnx)InChI=1/C18H30O5/c1-10-14-15(20-4)17(3)11(2)13(19)8-7-12(17)9-18(14,22-6)23-16(10)21-5/h11-13,15-16,19H,7-9H2,1-6H3/t11?,12?,13?,15?,16?,17?,18? Image of MNXM115060
SMILES (mnx)[CH3:1][C:10]1=[C:14]2[CH:15]([O:20][CH3:4])[C:17]3([CH3:3])[CH:11]([CH3:2])[CH:13]([OH:19])[CH2:8][CH2:7][CH:12]3[CH2:9][C:18]2([O:22][CH3:6])[O:23][CH:16]1[O:21][CH3:5]
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:172554
chebi:172554
CLQUNRBWTPVVAG-UHFFFAOYSA-N 		(3b,6b,8a,12a)-8,12-Epoxy-7(11)-eremophilene-6,8,12-trimethoxy-3-ol
2,4,9a-trimethoxy-3,4a,5-trimethyl-2,4,5,6,7,8,8a,9-octahydrobenzo[][1]benzouran-6-ol
hmdb:HMDB0031963
CLQUNRBWTPVVAG-UHFFFAOYSA-N 		(3b,6b,8a,12a)-8,12-Epoxy-7(11)-eremophilene-6,8,12-trimethoxy-3-ol
2,4,9a-trimethoxy-3,4a,5-trimethyl-2H,4H,4aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-6-ol
2,4,9a-trimethoxy-3,4a,5-trimethyl-2H,4H,5H,6H,7H,8H,8aH,9H-naphtho[2,3-b]furan-6-ol

hmdb:HMDB31963 		secondary/obsolete/fantasy identifier