Search MNXref
 Feedback

Heloside B

PropertiesImage
MNX_IDMNXM105519 Image of MNXM105519
referencechebi:69853
formulaC33H56O10
global charge0
mol weight612.801
InChIKeyIWGAWRNAVDMCGX-ZXAIVUKASA-N
InChIInChI=1S/C33H56O10/c1-16(14-34)5-8-22(36)17(2)26-23(37)12-21-20-7-6-18-11-19(42-31-30(41)29(40)28(39)25(15-35)43-31)9-10-32(18,3)27(20)24(38)13-33(21,26)4/h6,16-17,19-31,34-41H,5,7-15H2,1-4H3/t16-,17-,19+,20+,21+,22-,23+,24-,25-,26+,27-,28-,29+,30-,31-,32+,33+/m1/s1
SMILESC[C@@H](CO)CC[C@@H](O)[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C
MNX internals
InChI (mnx)InChI=1/C33H56O10/c1-16(14-34)5-8-22(36)17(2)26-23(37)12-21-20-7-6-18-11-19(42-31-30(41)29(40)28(39)25(15-35)43-31)9-10-32(18,3)27(20)24(38)13-33(21,26)4/h6,16-17,19-31,34-41H,5,7-15H2,1-4H3/t16-,17-,19+,20+,21+,22-,23+,24-,25-,26+,27-,28-,29+,30-,31-,32+,33+/m1/s1 Image of MNXM105519
SMILES (mnx)[CH3:1][C@H:16]([CH2:5][CH2:8][C@H:22]([C@@H:17]([CH3:2])[C@H:26]1[C@@H:23]([OH:37])[CH2:12][C@H:21]2[C@@H:20]3[CH2:7][CH:6]=[C:18]4[CH2:11][C@@H:19]([O:42][C@H:31]5[C@H:30]([OH:41])[C@@H:29]([OH:40])[C@H:28]([OH:39])[C@@H:25]([CH2:15][OH:35])[O:43]5)[CH2:9][CH2:10][C@:32]4([CH3:3])[C@H:27]3[C@H:24]([OH:38])[CH2:13][C@@:33]21[CH3:4])[OH:36])[CH2:14][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:69853
chebi:69853
IWGAWRNAVDMCGX-ZXAIVUKASA-N 		Heloside B