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Ganoderic acid Mk

PropertiesImage
MNX_IDMNXM125908 Image of MNXM125908
referencechebi:176105
formulaC34H50O7
global charge0
mol weight570.767
InChIKeyBCZACVDBVIYNMZ-VXLYETTFSA-N
InChIInChI=1S/C34H50O7/c1-19(30(38)39)10-12-26(40-21(3)35)20(2)25-18-28(37)34(9)24-11-13-27-31(5,6)29(41-22(4)36)15-16-32(27,7)23(24)14-17-33(25,34)8/h10-11,14,20,25-29,37H,12-13,15-18H2,1-9H3,(H,38,39)/b19-10+
SMILESCC(=O)OC(C/C=C(\C)C(=O)O)C(C)C1CC(O)C2(C)C3=CCC4C(C)(CCC(OC(C)=O)C4(C)C)C3=CCC12C
MNX internals
InChI (mnx)InChI=1/C34H50O7/c1-19(30(38)39)10-12-26(40-21(3)35)20(2)25-18-28(37)34(9)24-11-13-27-31(5,6)29(41-22(4)36)15-16-32(27,7)23(24)14-17-33(25,34)8/h10-11,14,20,25-29,37H,12-13,15-18H2,1-9H3,(H,38,39)/b19-10+/t20?,25?,26?,27?,28?,29?,32?,33?,34? Image of MNXM125908
SMILES (mnx)[CH3:1]/[C:19](=[CH:10]\[CH2:12][CH:26]([CH:20]([CH3:2])[CH:25]1[CH2:18][CH:28]([OH:37])[C:34]2([CH3:9])[C:24]3=[CH:11][CH2:13][CH:27]4[C:31]([CH3:5])([CH3:6])[CH:29]([O:41][C:22]([CH3:4])=[O:36])[CH2:15][CH2:16][C:32]4([CH3:7])[C:23]3=[CH:14][CH2:17][C:33]12[CH3:8])[O:40][C:21]([CH3:3])=[O:35])[C:30](=[O:38])[OH:39]
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:176105
chebi:176105
BCZACVDBVIYNMZ-VXLYETTFSA-N
Ganoderic acid Mk
(E)-5-acetyloxy-6-(3-acetyloxy-15-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enoic acid
hmdb:HMDB0035294
BCZACVDBVIYNMZ-VXLYETTFSA-N
Ganoderic acid Mk
(2E)-5-(Acetyloxy)-6-[5-(acetyloxy)-12-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(17),9-dien-14-yl]-2-methylhept-2-enoate
(2E)-5-(acetyloxy)-6-[5-(acetyloxy)-12-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(17),9-dien-14-yl]-2-methylhept-2-enoic acid
3a,22X-Diacetoxy-15a-hydroxylanosta-7,9(11),24-trien-26-Oic acid
Ganoderate MK

hmdb:HMDB35294
secondary/obsolete/fantasy identifier