(Q75057064)

English

Daldinone B

bioactive natural product

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instance of

type of chemical entity

0 references

subclass of

8,10,16,18-Tetrahydroxy-5-oxahexacyclo[11.7.1.02,12.03,9.04,6.017,21]henicosa-1(20),2,9,11,13(21),14,16,18-octaen-7-one

1 reference

based on heuristic

inferred from SMILES

mass

348.063388104 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(4S,6S,8R)-8,10,16,18-tetrahydroxy-5-oxahexacyclo[11.7.1.02,12.03,9.04,6.017,21]henicosa-1(20),2,9,11,13(21),14,16,18-octaen-7-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₁₂O₆

0 references

canonical SMILES

O=C1C(O)C2=C(O)C=C3C=4C=CC(O)=C5C(O)=CC=C(C45)C3=C2C6OC16

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isomeric SMILES

C1=CC(=C2C(=CC=C3C2=C1C4=CC(=C5[C@@H](C(=O)[C@H]6[C@@H](C5=C34)O6)O)O)O)O

0 references

found in taxon

Daldinia concentrica

2 references

stated in

Chemical constituents of the ascomycete Daldinia concentrica

stated in

Chemical constituents of the ascomycete Daldinia concentrica

Identifiers

InChI

InChI=1S/C20H12O6/c21-9-3-1-6-8-5-11(23)15-16(19-20(26-19)18(25)17(15)24)13(8)7-2-4-10(22)14(9)12(6)7/h1-5,17,19-24H/t17-,19+,20-/m0/s1

0 references

InChIKey

XSPAHHKREJIGIX-SXLOBPIMSA-N

0 references

2 references

language of work or name

English

matched by identifier from

InChIKey

XSPAHHKREJIGIX-SXLOBPIMSA-N

ChEBI ID

197919

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C20H12O6/c21-9-3-1-6-8-5-11(23)15-16(19-20(26-19)18(25)17(15)24)13(8)7-2-4-10(22)14(9)12(6)7/h1-5,17,19-24H/t17-,19+,20-/m0/s1

1 reference

Natural Product Atlas ID

NPA000439

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

XSPAHHKREJIGIX-SXLOBPIMSA-N

(Q75057064)

Daldinone B

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Identifiers

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