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Kurilensoside F

PropertiesImage (std)Image (mnx)
MNX_IDMNXM1375461 Image of MNXM1375461 Image of MNXM1375461
referencechebi:185981
formula (std)C33H58O11
global charge (std)0
mol weight (std)630.816
InChIKey (std)SFKLBZDYZMNXCK-OHVRGURYSA-N
InChI (std)InChI=1S/C33H58O11/c1-17(15-34)7-6-8-18(2)22-24(37)25(38)27-30(22,3)11-10-21-31(4)12-9-20(28(39)33(31,41)14-13-32(21,27)40)44-29-26(42-5)23(36)19(35)16-43-29/h17-29,34-41H,6-16H2,1-5H3/t17-,18+,19+,20-,21+,22-,23?,24+,25-,26-,27+,28-,29-,30+,31+,32-,33+/m0/s1
InChI (mnx)InChI=1/C33H58O11/c1-17(15-34)7-6-8-18(2)22-24(37)25(38)27-30(22,3)11-10-21-31(4)12-9-20(28(39)33(31,41)14-13-32(21,27)40)44-29-26(42-5)23(36)19(35)16-43-29/h17-29,34-41H,6-16H2,1-5H3/t17-,18+,19+,20-,21+,22-,23?,24+,25-,26-,27+,28-,29-,30+,31+,32-,33+/m0/s1
SMILES (std)CO[C@H]1C(O)[C@H](O)CO[C@H]1O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)CCC[C@H](C)CO)[C@@H](O)[C@H](O)[C@H]4[C@]3(O)CC[C@@]2(O)[C@H]1O
SMILES (mnx)[CH3:1][C@@H:17]([CH2:7][CH2:6][CH2:8][C@@H:18]([CH3:2])[C@H:22]1[C@@H:24]([OH:37])[C@H:25]([OH:38])[C@@H:27]2[C@:30]1([CH3:3])[CH2:11][CH2:10][C@@H:21]1[C@@:31]3([CH3:4])[CH2:12][CH2:9][C@H:20]([O:44][C@H:29]4[C@@H:26]([O:42][CH3:5])[CH:23]([OH:36])[C@H:19]([OH:35])[CH2:16][O:43]4)[C@H:28]([OH:39])[C@:33]3([OH:41])[CH2:14][CH2:13][C@:32]12[OH:40])[CH2:15][OH:34]
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:185981
chebi:185981
SFKLBZDYZMNXCK-OHVRGURYSA-N
Kurilensoside F
(3S,4S,5S,8S,9R,10R,13R,14S,15R,16R,17R)-3-[(2S,3S,5R)-4,5-dihydroxy-3-methoxyoxan-2-yl]oxy-17-[(2R,6S)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,6,7,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-4,5,8,15,16-pentol