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viridicatumtoxin

Properties

Image

Occurences in reactions

MNX_ID

MNXM149216

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₃₀H₃₁NO₁₀

charge

mass

565.1948

reference

chebi:85616

InChIKey

SUWQGLGDFGHZNH-WBWZXODPSA-N

InChI

InChI=1S/C30H31NO10/c1-11-6-5-7-27(2,3)28(11)9-12-16-18(13(32)8-15(41-4)21(16)28)22(34)20-17(12)23(35)29(39)10-14(33)19(26(31)38)24(36)30(29,40)25(20)37/h6,8,23,32-35,39-40H,5,7,9-10H2,1-4H3,(H2,31,38)/t23-,28-,29-,30+/m0/s1

SMILES

COc1cc(O)c2c(O)c3c(c4c2c1[C@]1(C4)C(C)=CCCC1(C)C)[C@H](O)[C@@]1(O)CC(O)=C(C(N)=O)C(=O)[C@@]1(O)C3=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:85616 chebi:85616	viridicatumtoxin (1S,7a'S,11a'S,12'S)-5',6',7a',10',11a',12'-hexahydroxy-3'-methoxy-2,6,6-trimethyl-7',8'-dioxo-7',7a',8',11',11a',12'-hexahydro-1'H-spiro[cyclohex-2-ene-1,2'-cyclopenta[de]tetracene]-9'-carboxamide NSC 159628 SC 28762 viridicatumtoxin A
metacyc.compound:CPD-17868 metacycM:CPD-17868 seed.compound:cpd32611 seedM:cpd32611	viridicatumtoxin
seedM:M_cpd32611	secondary/obsolete/fantasy identifier