(Q105233227)

English

1,1',5alpha,5'alpha,8,8'-Hexahydroxy-3,6'alpha-dimethyl-9,9'-dioxo-5,5',6,6',7,7',9,9'-octahydro-2,4'-bi[10aH-xanthene]-10abeta,10a'beta-dicarboxylic acid dimethyl ester

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

10a,10'a-dimethyl 1,1',5,5',9,9'-hexahydroxy-3,6'-dimethyl-8,8'-dioxo-5H,5'H,6H,6'H,7H,7'H-[2,4'-bixanthene]-10a,10'a-dicarboxylate

1 reference

based on heuristic

inferred from SMILES

mass

638.16355564 dalton

1 reference

1 reference

C₃₂H₃₀O₁₄

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canonical SMILES

O=C(OC)C12OC=3C=C(C(=C(O)C3C(O)=C2C(=O)CCC1O)C=4C=CC(O)=C5C(O)=C6C(=O)CC(C)C(O)C6(OC45)C(=O)OC)C

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isomeric SMILES

COC(=O)[C@]12Oc3cc(C)c(-c4ccc(O)c5c4O[C@@]4(C(=O)OC)C(=C5O)C(=O)C[C@@H](C)[C@H]4O)c(O)c3C(O)=C1C(=O)CC[C@H]2O

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found in taxon

Purpureocillium lilacinum

1 reference

stated in

Purpureone, an antileishmanial ergochrome from the endophytic fungus Purpureocillium lilacinum

Identifiers

InChI

InChI=1S/C32H30O14/c1-11-10-17-21(26(39)22-15(34)7-8-18(36)31(22,45-17)29(41)43-3)24(37)19(11)13-5-6-14(33)20-25(38)23-16(35)9-12(2)28(40)32(23,30(42)44-4)46-27(13)20/h5-6,10,12,18,28,33,36-40H,7-9H2,1-4H3/t12-,18-,28-,31-,32+/m1/s1

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InChIKey

RBOLEWXSTOYYEK-QJAVGOATSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

RBOLEWXSTOYYEK-QJAVGOATSA-N

ChEBI ID

201117

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C32H30O14/c1-11-10-17-21(26(39)22-15(34)7-8-18(36)31(22,45-17)29(41)43-3)24(37)19(11)13-5-6-14(33)20-25(38)23-16(35)9-12(2)28(40)32(23,30(42)44-4)46-27(13)20/h5-6,10,12,18,28,33,36-40H,7-9H2,1-4H3/t12-,18-,28-,31-,32+/m1/s1

1 reference

Natural Product Atlas ID

NPA004138

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

RBOLEWXSTOYYEK-QJAVGOATSA-N

(Q105233227)

1,1',5alpha,5'alpha,8,8'-Hexahydroxy-3,6'alpha-dimethyl-9,9'-dioxo-5,5',6,6',7,7',9,9'-octahydro-2,4'-bi[10aH-xanthene]-10abeta,10a'beta-dicarboxylic acid dimethyl ester

Statements

Identifiers

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