Search MNXref
 Feedback

6b-Angeloyl-3b,8b,9b-trihydroxy-7(11)-eremophilen-12,8-olide

PropertiesImage
MNX_IDMNXM118478 Image of MNXM118478
referencechebi:175880
formulaC20H28O7
global charge0
mol weight380.437
InChIKeyMSDFIROCDXOIAM-RMKNXTFCSA-N
InChIInChI=1S/C20H28O7/c1-6-9(2)17(23)26-16-14-10(3)18(24)27-20(14,25)15(22)12-7-8-13(21)11(4)19(12,16)5/h6,11-13,15-16,21-22,25H,7-8H2,1-5H3/b9-6+
SMILESC/C=C(\C)C(=O)OC1C2=C(C)C(=O)OC2(O)C(O)C2CCC(O)C(C)C12C
MNX internals
InChI (mnx)InChI=1/C20H28O7/c1-6-9(2)17(23)26-16-14-10(3)18(24)27-20(14,25)15(22)12-7-8-13(21)11(4)19(12,16)5/h6,11-13,15-16,21-22,25H,7-8H2,1-5H3/b9-6+/t11?,12?,13?,15?,16?,19?,20? Image of MNXM118478
SMILES (mnx)[CH3:1]/[CH:6]=[C:9](\[CH3:2])[C:17](=[O:23])[O:26][CH:16]1[C:14]2=[C:10]([CH3:3])[C:18](=[O:24])[O:27][C:20]2([OH:25])[CH:15]([OH:22])[CH:12]2[CH2:7][CH2:8][CH:13]([OH:21])[CH:11]([CH3:4])[C:19]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:175880
chebi:175880
MSDFIROCDXOIAM-RMKNXTFCSA-N 		6b-Angeloyl-3b,8b,9b-trihydroxy-7(11)-eremophilen-12,8-olide
(6,9,9a-trihydroxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[][1]benzouran-4-yl) (E)-2-methylbut-2-enoate
hmdb:HMDB0041228
MSDFIROCDXOIAM-RMKNXTFCSA-N 		6b-Angeloyl-3b,8b,9b-trihydroxy-7(11)-eremophilen-12,8-olide
6,9,9a-Trihydroxy-3,4a,5-trimethyl-2-oxo-2H,4H,4ah,5H,6H,7H,8H,8ah,9H,9ah-naphtho[2,3-b]furan-4-yl (2E)-2-methylbut-2-enoic acid
6,9,9a-trihydroxy-3,4a,5-trimethyl-2-oxo-2H,4H,4aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-4-yl (2E)-2-methylbut-2-enoate
6,9,9a-trihydroxy-3,4a,5-trimethyl-2-oxo-4H,5H,6H,7H,8H,8aH,9H-naphtho[2,3-b]furan-4-yl (2E)-2-methylbut-2-enoate

hmdb:HMDB41228 		secondary/obsolete/fantasy identifier