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(S)-Nerolidol 3-O-[a-L-Rhamnopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside]

PropertiesImage
MNX_IDMNXM115472 Image of MNXM115472
referencechebi:168191
formulaC33H56O14
global charge0
mol weight676.797
InChIKeyNLQYAUOYHNMEPR-GHRIWEEISA-N
InChIInChI=1S/C33H56O14/c1-8-33(7,14-10-13-17(4)12-9-11-16(2)3)47-32-29(24(38)22(36)20(15-34)44-32)46-31-27(41)25(39)28(19(6)43-31)45-30-26(40)23(37)21(35)18(5)42-30/h8,11,13,18-32,34-41H,1,9-10,12,14-15H2,2-7H3/b17-13+
SMILESC=CC(C)(CC/C=C(\C)CCC=C(C)C)OC1OC(CO)C(O)C(O)C1OC1OC(C)C(OC2OC(C)C(O)C(O)C2O)C(O)C1O
MNX internals
InChI (mnx)InChI=1/C33H56O14/c1-8-33(7,14-10-13-17(4)12-9-11-16(2)3)47-32-29(24(38)22(36)20(15-34)44-32)46-31-27(41)25(39)28(19(6)43-31)45-30-26(40)23(37)21(35)18(5)42-30/h8,11,13,18-32,34-41H,1,9-10,12,14-15H2,2-7H3/b17-13+/t18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33? Image of MNXM115472
SMILES (mnx)[CH2:1]=[CH:8][C:33]([CH3:7])([CH2:14][CH2:10]/[CH:13]=[C:17](\[CH3:4])[CH2:12][CH2:9][CH:11]=[C:16]([CH3:2])[CH3:3])[O:47][CH:32]1[CH:29]([O:46][CH:31]2[CH:27]([OH:41])[CH:25]([OH:39])[CH:28]([O:45][CH:30]3[CH:26]([OH:40])[CH:23]([OH:37])[CH:21]([OH:35])[CH:18]([CH3:5])[O:42]3)[CH:19]([CH3:6])[O:43]2)[CH:24]([OH:38])[CH:22]([OH:36])[CH:20]([CH2:15][OH:34])[O:44]1
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:168191
chebi:168191
NLQYAUOYHNMEPR-GHRIWEEISA-N
(S)-Nerolidol 3-O-[a-L-Rhamnopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside]
2-[6-[4,5-dihydroxy-6-(hydroxymethyl)-2-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
hmdb:HMDB0040845
NLQYAUOYHNMEPR-GHRIWEEISA-N
(S)-Nerolidol 3-O-[a-L-Rhamnopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside]
2-[(6-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]oxy}oxan-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl)oxy]-6-methyloxane-3,4,5-triol

hmdb:HMDB40845
secondary/obsolete/fantasy identifier