Concept information
Preferred term
AS 186d
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C44H50O13
has_role
- CHEBI:64696
- متابولیت پنی سیلیوم
inchi
- InChI=1S/C44H50O13/c1-20(2)14-30(47)25-10-12-29(46)36(41(25)53-8)39(51)35-27(16-22(5)18-31(35)48)43-38(50)28-17-23(6)19-32(49)40(28)56-33-13-11-26(34(15-21(3)4)55-24(7)45)42(54-9)37(33)44(52)57-43/h10-13,16-21,30,34,38,43,46-50H,14-15H2,1-9H3
inchikey
- XHGXNCJQYFUJOZ-UHFFFAOYSA-N
mass
- 786.86000
monoisotopicmass
- 786.32514
smiles
- COc1c(ccc(O)c1C(=O)c1c(O)cc(C)cc1C1OC(=O)c2c(Oc3c(O)cc(C)cc3C1O)ccc(C(CC(C)C)OC(C)=O)c2OC)C(O)CC(C)C
subset
- 3_STAR
synonym EXACT
- 1-(8,12-dihydroxy-7-{3-hydroxy-2-[6-hydroxy-3-(1-hydroxy-3-methylbutyl)-2-methoxybenzoyl]-5-methylphenyl}-4-methoxy-10-methyl-5-oxo-7,8-dihydro-5H-dibenzo[b,h][1,5]dioxonin-3-yl)-3-methylbutyl acetate
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:65447
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