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Asticolorin B

Properties

Image

Occurences in reactions

MNX_ID

MNXM119483

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

formula

C₃₃H₂₈O₇

charge

mass

536.1835

reference

chebi:169237

InChIKey

QPGYUCLUVQROTF-AYBPZWEFSA-N

InChI

InChI=1S/C33H28O7/c1-13-7-18(34)26-20(9-13)38-22-11-23-24(16(4)25(22)26)17-6-15(3)12-32(5)28-27-19(35)8-14(2)10-21(27)39-29(28)31(36)33(37,40-23)30(17)32/h6-11,17,30,34-35,37H,12H2,1-5H3/t17-,30+,32+,33-/m0/s1

SMILES

CC1=C[C@H]2c3c(cc4oc5cc(C)cc(O)c5c4c3C)O[C@]3(O)C(=O)c4oc5cc(C)cc(O)c5c4[C@@](C)(C1)[C@@H]23

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:169237 chebi:169237	Asticolorin B (1R,16S,27S,31R)-6,16,24-trihydroxy-3,8,22,27,29-pentamethyl-11,15,19-trioxaoctacyclo[14.14.1.02,14.04,12.05,10.018,26.020,25.027,31]hentriaconta-2(14),3,5,7,9,12,18(26),20,22,24,29-undecaen-17-one
hmdb:HMDB0030134	Asticolorin B 6,16,24-trihydroxy-3,8,22,27,29-pentamethyl-11,15,19-trioxaoctacyclo[14.14.1.0²,¹⁴.0⁴,¹².0⁵,¹⁰.0¹⁸,²⁶.0²⁰,²⁵.0²⁷,³¹]hentriaconta-2,4(12),5,7,9,13,18(26),20,22,24,29-undecaen-17-one
hmdb:HMDB30134	secondary/obsolete/fantasy identifier