(Q105239779)

English

(3R,4S,4aS)-7-[(5S,6R,10aS)-1,5-dihydroxy-6-methoxy-3,10a-dimethyl-9-oxo-6,7-dihydro-5H-xanthen-2-yl]-4,8-dihydroxy-3-methoxy-4a,6-dimethyl-3,4-dihydro-2H-xanthen-9-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

7-(1,5-dihydroxy-6-methoxy-3,10a-dimethyl-9-oxo-6,7-dihydro-5H-xanthen-2-yl)-4,8-dihydroxy-3-methoxy-4a,6-dimethyl-3,4-dihydro-2H-xanthen-9-one

1 reference

based on heuristic

inferred from SMILES

mass

578.215197288 dalton

1 reference

1 reference

C₃₂H₃₄O₁₀

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canonical SMILES

O=C1C=2C(O)=C(C=3C(O)=C4C(=O)C5=CCC(OC)C(O)C5(OC4=CC3C)C)C(=CC2OC6(C1=CCC(OC)C6O)C)C

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isomeric SMILES

CO[C@@H]1CC=C2C(=O)c3c(cc(C)c(-c4c(C)cc5c(c4O)C(=O)C4=CC[C@@H](OC)[C@H](O)[C@@]4(C)O5)c3O)O[C@]2(C)[C@H]1O

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found in taxon

Aschersonia

1 reference

stated in

A cytotoxic xanthone dimer from the entomopathogenic fungus Aschersonia sp. BCC 8401.

Identifiers

InChI

InChI=1S/C32H34O10/c1-13-11-19-23(25(33)15-7-9-17(39-5)29(37)31(15,3)41-19)27(35)21(13)22-14(2)12-20-24(28(22)36)26(34)16-8-10-18(40-6)30(38)32(16,4)42-20/h7-8,11-12,17-18,29-30,35-38H,9-10H2,1-6H3/t17-,18-,29+,30+,31+,32+/m1/s1

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InChIKey

RLBXNYCARFXYIU-QGLVJRRPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RLBXNYCARFXYIU-QGLVJRRPSA-N

ChEBI ID

225732

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C32H34O10/c1-13-11-19-23(25(33)15-7-9-17(39-5)29(37)31(15,3)41-19)27(35)21(13)22-14(2)12-20-24(28(22)36)26(34)16-8-10-18(40-6)30(38)32(16,4)42-20/h7-8,11-12,17-18,29-30,35-38H,9-10H2,1-6H3/t17-,18-,29+,30+,31+,32+/m1/s1

1 reference

Natural Product Atlas ID

NPA017131

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

RLBXNYCARFXYIU-QGLVJRRPSA-N

(Q105239779)

(3R,4S,4aS)-7-[(5S,6R,10aS)-1,5-dihydroxy-6-methoxy-3,10a-dimethyl-9-oxo-6,7-dihydro-5H-xanthen-2-yl]-4,8-dihydroxy-3-methoxy-4a,6-dimethyl-3,4-dihydro-2H-xanthen-9-one

Statements

Identifiers

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