(Q105143268)

English

matteuorienate C

group of stereoisomers with the chemical formula C₂₉H₃₂O₁₃

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Statements

instance of

group of stereoisomers

0 references

subclass of

6,8C-substituted flavone

1 reference

inferred from

6,8C-substituted flavone

mass

588.1842910839999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₉H₃₂O₁₃

0 references

canonical SMILES

O=C(O)CC(O)(C)CC(=O)OCC1OC(OC=2C(=C(O)C=3C(=O)C=C(OC3C2C)C=4C=CC=CC4)C)C(O)C(O)C1O

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isomeric SMILES

Cc1c(O[C@@H]2OC(COC(=O)CC(C)(O)CC(=O)O)[C@@H](O)[C@H](O)C2O)c(C)c2oc(-c3ccccc3)cc(=O)c2c1O

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Identifiers

InChI

InChI=1S/C29H32O13/c1-13-22(34)21-16(30)9-17(15-7-5-4-6-8-15)40-27(21)14(2)26(13)42-28-25(37)24(36)23(35)18(41-28)12-39-20(33)11-29(3,38)10-19(31)32/h4-9,18,23-25,28,34-38H,10-12H2,1-3H3,(H,31,32)/t18?,23-,24+,25?,28+,29?/m1/s1

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InChIKey

KMYUBNLNPRIIHP-HDWZAORYSA-N

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PubChem CID

44257624

1 reference

based on heuristic

inferred from InChIKey

ChEBI ID

185958

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C29H32O13/c1-13-22(34)21-16(30)9-17(15-7-5-4-6-8-15)40-27(21)14(2)26(13)42-28-25(37)24(36)23(35)18(41-28)12-39-20(33)11-29(3,38)10-19(31)32/h4-9,18,23-25,28,34-38H,10-12H2,1-3H3,(H,31,32)/t18?,23-,24+,25?,28+,29?/m1/s1

1 reference

1 reference

KMYUBNLNPRIIHP-HDWZAORYSA-N

17 April 2021

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

(Q105143268)

matteuorienate C

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