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3b,8b-Dihydroxy-6b-angeloyloxy-7(11)-eremophilen-12,8-olide

PropertiesImage
MNX_IDMNXM117651 Image of MNXM117651
referencechebi:175676
formulaC20H28O6
global charge0
mol weight364.438
InChIKeyYOQIGAVHLYFIAF-POHAHGRESA-N
InChIInChI=1S/C20H28O6/c1-6-10(2)17(22)25-16-15-11(3)18(23)26-20(15,24)9-13-7-8-14(21)12(4)19(13,16)5/h6,12-14,16,21,24H,7-9H2,1-5H3/b10-6-
SMILESC/C=C(/C)C(=O)OC1C2=C(C)C(=O)OC2(O)CC2CCC(O)C(C)C21C
MNX internals
InChI (mnx)InChI=1/C20H28O6/c1-6-10(2)17(22)25-16-15-11(3)18(23)26-20(15,24)9-13-7-8-14(21)12(4)19(13,16)5/h6,12-14,16,21,24H,7-9H2,1-5H3/b10-6-/t12?,13?,14?,16?,19?,20? Image of MNXM117651
SMILES (mnx)[CH3:1]/[CH:6]=[C:10](/[CH3:2])[C:17](=[O:22])[O:25][CH:16]1[C:15]2=[C:11]([CH3:3])[C:18](=[O:23])[O:26][C:20]2([OH:24])[CH2:9][CH:13]2[CH2:7][CH2:8][CH:14]([OH:21])[CH:12]([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:175676
chebi:175676
YOQIGAVHLYFIAF-POHAHGRESA-N 		3b,8b-Dihydroxy-6b-angeloyloxy-7(11)-eremophilen-12,8-olide
(6,9a-dihydroxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[][1]benzouran-4-yl) (Z)-2-methylbut-2-enoate
hmdb:HMDB0040758
YOQIGAVHLYFIAF-POHAHGRESA-N 		3b,8b-Dihydroxy-6b-angeloyloxy-7(11)-eremophilen-12,8-olide
6,9a-Dihydroxy-3,4a,5-trimethyl-2-oxo-2H,4H,4ah,5H,6H,7H,8H,8ah,9H,9ah-naphtho[2,3-b]furan-4-yl (2Z)-2-methylbut-2-enoic acid
6,9a-dihydroxy-3,4a,5-trimethyl-2-oxo-2H,4H,4aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-4-yl (2Z)-2-methylbut-2-enoate
6,9a-dihydroxy-3,4a,5-trimethyl-2-oxo-4H,5H,6H,7H,8H,8aH,9H-naphtho[2,3-b]furan-4-yl (2Z)-2-methylbut-2-enoate

hmdb:HMDB40758 		secondary/obsolete/fantasy identifier