(Q105121909)

English

(3R,5R)-3,5-Dihydroxy-7-[(1S,2S,6R,8aR)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalene-1-yl]heptanoic acid methyl ester

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

336.230059504 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₂O₄

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canonical SMILES

O=C(OC)CC(O)CC(O)CCC1C(C=CC2=CC(C)CCC21)C

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isomeric SMILES

COC(=O)C[C@H](O)C[C@H](O)CC[C@H]1[C@@H](C)C=CC2=C[C@H](C)CC[C@@H]21

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found in taxon

Monascus purpureus

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stated in

Constituents of red yeast rice, a traditional Chinese food and medicine

Identifiers

InChI

InChI=1S/C20H32O4/c1-13-4-8-19-15(10-13)6-5-14(2)18(19)9-7-16(21)11-17(22)12-20(23)24-3/h5-6,10,13-14,16-19,21-22H,4,7-9,11-12H2,1-3H3/t13-,14+,16-,17-,18+,19+/m1/s1

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InChIKey

IWVORPXIFPKHNZ-QLWJPQISSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IWVORPXIFPKHNZ-QLWJPQISSA-N

ChEBI ID

224627

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C20H32O4/c1-13-4-8-19-15(10-13)6-5-14(2)18(19)9-7-16(21)11-17(22)12-20(23)24-3/h5-6,10,13-14,16-19,21-22H,4,7-9,11-12H2,1-3H3/t13-,14+,16-,17-,18+,19+/m1/s1

1 reference

Natural Product Atlas ID

NPA016874

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

IWVORPXIFPKHNZ-QLWJPQISSA-N

(Q105121909)

(3R,5R)-3,5-Dihydroxy-7-[(1S,2S,6R,8aR)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalene-1-yl]heptanoic acid methyl ester

Statements

Identifiers

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