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protohypericin

MNXM12793 is deprecated and here replaced by MNXM1366939
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1366939 Image of MNXM1366939
referencemetacycM:CPD-9561
formulaC30H16O8
global charge-2
mol weight504.45
InChIKeyYLILOANQCQKPOD-UHFFFAOYSA-L
InChIInChI=1S/C30H18O8/c1-9-3-11-19(13(31)5-9)29(37)25-17(35)7-15(33)23-24-16(34)8-18(36)26-28(24)22(21(11)27(23)25)12-4-10(2)6-14(32)20(12)30(26)38/h3-8,31-36H,1-2H3/p-2
SMILESCC1=CC2=C(C(=O)C3=C4C(=C([O-])C=C3O)C3=C([O-])C=C(O)C5=C3C(=C24)C2=C(C5=O)C(O)=CC(C)=C2)C(O)=C1
MNX internals
InChI (mnx)InChI=1/C30H18O8/c1-9-3-11-19(13(31)5-9)29(37)25-17(35)7-15(33)23-24-16(34)8-18(36)26-28(24)22(21(11)27(23)25)12-4-10(2)6-14(32)20(12)30(26)38/h3-8,31-36H,1-2H3 Image of MNXM1366939
SMILES (mnx)[CH3:1][C:9]1=[CH:3][C:11]2=[C:19]([C:13]([OH:31])=[CH:5]1)[C:29](=[O:37])[C:25]1=[C:17]([OH:35])[CH:7]=[C:15]([OH:33])[C:23]3=[C:27]1[C:21]2=[C:22]1[C:12]2=[CH:4][C:10]([CH3:2])=[CH:6][C:14]([OH:32])=[C:20]2[C:30](=[O:38])[C:26]2=[C:18]([OH:36])[CH:8]=[C:16]([OH:34])[C:24]3=[C:28]12
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-9561
metacycM:CPD-9561
YLILOANQCQKPOD-UHFFFAOYSA-L 		protohypericin
1,3,4,6,8,15-Hexahydroxy-10,13-dimethyl-dibenzo[a,o]perylene-7,16-dione
hmdb:HMDB0034180
YLILOANQCQKPOD-UHFFFAOYSA-N 		Protohypericin
7,11,13,16,18,22-hexahydroxy-5,24-dimethylheptacyclo[13.11.1.1²,¹⁰.0³,⁸.0¹⁹,²⁷.0²¹,²⁶.0¹⁴,²⁸]octacosa-1(27),2(28),3(8),4,6,10,12,14,16,18,21(26),22,24-tridecaene-9,20-dione

hmdb:HMDB34180 		secondary/obsolete/fantasy identifier