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3-O-vanillyceanothic acid

PropertiesImageOccurences in reactions
MNX_IDMNXM101873Image of MNXM101873
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC38H52O8
charge0
mass636.36622
referencechebi:66348
InChIKeyMQPOOTZZZKJBBJ-LJGZSNSNSA-N
InChIInChI=1S/C38H52O8/c1-20(2)22-13-16-38(33(43)44)18-17-35(5)23(28(22)38)10-12-27-36(35,6)15-14-26-34(3,4)30(29(31(40)41)37(26,27)7)46-32(42)21-9-11-24(39)25(19-21)45-8/h9,11,19,22-23,26-30,39H,1,10,12-18H2,2-8H3,(H,40,41)(H,43,44)/t22-,23+,26-,27-,28+,29+,30-,35+,36+,37-,38-/m0/s1
SMILESC=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@@H](C(=O)O)[C@H](OC(=O)c6ccc(O)c(OC)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
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Similar chemical compounds in external resources
IdentifierDescription
CHEBI:66348
chebi:66348 		3-O-vanillyceanothic acid
(1R,2S,3aR,5aR,5bR,7aS,10R,10aR,10bR,12aR,12bR)-2-[(4-hydroxy-3-methoxybenzoyl)oxy]-3,3,5a,5b,12b-pentamethyl-10-(prop-1-en-2-yl)octadecahydrodicyclopenta[a,i]phenanthrene-1,7a(1H)-dicarboxylic acid
3-O-(4-hydroxy-3-methoxybenzoyl)ceanothic acid