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dihydrobisanhydrobacterioruberin

Properties

Image

Occurences in reactions

MNX_ID

MNXM149030

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	1

formula

C₅₀H₇₄O₂

charge

mass

706.56888

reference

chebi:87161

InChIKey

DBVNNKGZPLOLDX-VFYNWLBVSA-N

InChI

InChI=1S/C50H74O2/c1-39(2)31-35-47(49(11,12)51)37-33-45(9)29-19-27-43(7)25-17-23-41(5)21-15-16-22-42(6)24-18-26-44(8)28-20-30-46(10)34-38-48(50(13,14)52)36-32-40(3)4/h15-33,37,47-48,51-52H,34-36,38H2,1-14H3/b16-15+,23-17+,24-18+,27-19+,28-20+,37-33+,41-21+,42-22+,43-25+,44-26+,45-29+,46-30+/t47-,48-/m0/s1

SMILES

CC(C)=CC[C@@H](/C=C/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CC[C@H](CC=C(C)C)C(C)(C)O)C(C)(C)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:87161 chebi:87161	dihydrobisanhydrobacterioruberin (3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,30R)-2,6,10,14,19,23,27,31-octamethyl-3,30-bis(3-methylbut-2-en-1-yl)dotriaconta-4,6,8,10,12,14,16,18,20,22,24,26-dodecaene-2,31-diol
kegg.compound:C22060 keggC:C22060	Dihydrobisanhydrobacterioruberin
metacyc.compound:CPD-18007 metacycM:CPD-18007 seed.compound:cpd32410 seedM:cpd32410	dihydrobisanhydrobacterioruberin
keggC:M_C22060 seedM:M_cpd32410	secondary/obsolete/fantasy identifier