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Chondrillasterol 3-[glucosyl-(1->4)-glucoside]

Properties

Image

Occurences in reactions

MNX_ID

MNXM120503

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₄₁H₆₈O₁₁

charge

mass

736.47616

reference

chebi:173308

InChIKey

TZCNBGOTFQYFAL-CMDGGOBGSA-N

InChI

InChI=1S/C41H68O11/c1-7-23(21(2)3)9-8-22(4)27-12-13-28-26-11-10-24-18-25(14-16-40(24,5)29(26)15-17-41(27,28)6)49-38-36(48)34(46)37(31(20-43)51-38)52-39-35(47)33(45)32(44)30(19-42)50-39/h8-9,11,21-25,27-39,42-48H,7,10,12-20H2,1-6H3/b9-8+

SMILES

CCC(/C=C/C(C)C1CCC2C3=CCC4CC(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)CCC4(C)C3CCC21C)C(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:173308 chebi:173308	Chondrillasterol 3-[glucosyl-(1->4)-glucoside] 2-[6-[[17-[(E)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
hmdb:HMDB0033886	Chondrillasterol 3-[glucosyl-(1->4)-glucoside] 2-{[6-({14-[(3E)-5-ethyl-6-methylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-yl}oxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol Chondrillasterol 3-O-[b-D-glucopyranosyl-(1->4)-b-D-glucopyranoside]
hmdb:HMDB33886	secondary/obsolete/fantasy identifier