(Q105171334)

English

(10S)-6-hydroxy-7-[(E)-4-hydroxy-3-methylbut-2-enoxy]-2-(4-hydroxyphenyl)-3-methoxy-10-prop-1-en-2-yl-9,10-dihydrophenanthrene-1,4-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

6-Hydroxy-7-(4-hydroxy-3-methylbut-2-enoxy)-2-(4-hydroxyphenyl)-3-methoxy-10-prop-1-en-2-yl-9,10-dihydrophenanthrene-1,4-dione

1 reference

based on heuristic

inferred from SMILES

mass

488.183503236 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₂₈O₇

0 references

canonical SMILES

O=C1C(OC)=C(C(=O)C2=C1C=3C=C(O)C(OCC=C(C)CO)=CC3CC2C(=C)C)C=4C=CC(O)=CC4

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isomeric SMILES

C=C(C)[C@@H]1Cc2cc(OC/C=C(\C)CO)c(O)cc2C2=C1C(=O)C(c1ccc(O)cc1)=C(OC)C2=O

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found in taxon

Aspergillus arenarius

1 reference

stated in

Arenarins A-C: new cytotoxic fungal metabolites from the sclerotia of aspergillus arenarius

Identifiers

InChI

InChI=1S/C29H28O7/c1-15(2)20-11-18-12-23(36-10-9-16(3)14-30)22(32)13-21(18)26-25(20)27(33)24(29(35-4)28(26)34)17-5-7-19(31)8-6-17/h5-9,12-13,20,30-32H,1,10-11,14H2,2-4H3/b16-9+/t20-/m0/s1

0 references

InChIKey

MSPQCCXMJFTOKB-ZYEUVFMNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MSPQCCXMJFTOKB-ZYEUVFMNSA-N

ChEBI ID

223947

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C29H28O7/c1-15(2)20-11-18-12-23(36-10-9-16(3)14-30)22(32)13-21(18)26-25(20)27(33)24(29(35-4)28(26)34)17-5-7-19(31)8-6-17/h5-9,12-13,20,30-32H,1,10-11,14H2,2-4H3/b16-9+/t20-/m0/s1

(Q105171334)

(10S)-6-hydroxy-7-[(E)-4-hydroxy-3-methylbut-2-enoxy]-2-(4-hydroxyphenyl)-3-methoxy-10-prop-1-en-2-yl-9,10-dihydrophenanthrene-1,4-dione

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