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Anabsinthin

Properties

Image

Occurences in reactions

MNX_ID

MNXM119178

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

formula

C₃₀H₄₀O₆

charge

mass

496.28249

reference

hmdb:HMDB0036415

InChIKey

XDKZYFZYOVAAKJ-MWXHEUKFSA-N

InChI

InChI=1S/C30H40O6/c1-12-15-7-9-27(4,33)21-18(22(15)34-25(12)31)14(3)20-19(21)17-11-29(6)30(20)23(17)28(5,36-29)10-8-16-13(2)26(32)35-24(16)30/h12-13,15-17,19-24,33H,7-11H2,1-6H3/t12-,13-,15-,16-,17-,19-,20-,21-,22-,23-,24-,27-,28+,29+,30?/m0/s1

SMILES

CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@](C)(O)[C@@H]2[C@H]2[C@@H]3C[C@@]4(C)O[C@]5(C)CC[C@H]6[C@H](C)C(=O)O[C@@H]6C4([C@@H]12)[C@@H]35

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0036415	Anabsinthin (2R,5S,8S,9S,12S,13R,14S,15S,17R,19R,22S,23S,26S,27R)-12-hydroxy-3,8,12,17,19,23-hexamethyl-6,18,25-trioxaoctacyclo[13.11.1.0¹,¹⁷.0²,¹⁴.0⁴,¹³.0⁵,⁹.0¹⁹,²⁷.0²²,²⁶]heptacos-3-ene-7,24-dione 4-(1-Methylbutyl)-phenol 4-(1-Methylbutyl)phenol 4-Sec-amylphenol 4-Sec-pentyl-phenol Phenol, p-sec-amyl- (6ci) p-(1-METHYLBUTYL)phenol p-(1-Methylbutyl)-phenol p-(Sec-pentyl)-phenol p-Sec-amyl phenol p-Sec-amyl-phenol p-Sec-amylphenol
hmdb:HMDB36415	secondary/obsolete/fantasy identifier