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Cyclopassifloic acid A

Properties

Image

Occurences in reactions

MNX_ID

MNXM124100

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

formula

C₃₁H₅₂O₇

charge

mass

536.3713

reference

hmdb:HMDB0035943

InChIKey

DHBRFQPOOWANLV-UHFFFAOYSA-N

InChI

InChI=1S/C31H52O7/c1-17(2)30(38,16-32)14-20(33)18(3)19-9-10-27(5)21-7-8-22-28(6,25(36)37)23(34)13-24(35)31(22)15-29(21,31)12-11-26(19,27)4/h17-24,32-35,38H,7-16H2,1-6H3,(H,36,37)

SMILES

CC(C(O)CC(O)(CO)C(C)C)C1CCC2(C)C3CCC4C(C)(C(=O)O)C(O)CC(O)C45CC35CCC12C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0035943	Cyclopassifloic acid A 4,6-Dihydroxy-7,12,16-trimethyl-15-[3,5,6-trihydroxy-5-(propan-2-yl)hexan-2-yl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylate 4,6-dihydroxy-7,12,16-trimethyl-15-(3,5,6-trihydroxy-5-isopropylhexan-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylic acid 4,6-dihydroxy-7,12,16-trimethyl-15-[3,5,6-trihydroxy-5-(propan-2-yl)hexan-2-yl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylic acid Cyclopassifloate a
hmdb:HMDB35943	secondary/obsolete/fantasy identifier