(Q77279868)

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Roridin M

bioactive natural product

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instance of

type of chemical entity

0 references

subclass of

(19'E)-28'-hydroxy-5',13',17',26'-tetramethyl-2',10',16',24',29'-pentaoxaspiro[oxirane-2,27'-pentacyclo[23.2.1.1¹⁵,¹⁸.0³,⁸.0⁸,²⁶]nonacosane]-4',12',19',21'-tetraene-11',23'-dione

1 reference

based on heuristic

inferred from SMILES

28-Hydroxy-5,13,17,26-tetramethylspiro[2,10,16,24,29-pentaoxapentacyclo[23.2.1.115,18.03,8.08,26]nonacosa-4,12,19,21-tetraene-27,2'-oxirane]-11,23-dione

1 reference

based on heuristic

inferred from SMILES

mass

528.235932732 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₆O₉

0 references

canonical SMILES

O=C1OCC23CCC(=CC3OC4C(O)C(OC(=O)C=CC=CC5OC(OC5C)CC(=C1)C)C2(C)C64OC6)C

0 references

isomeric SMILES

CC1=CC2OC3C(O)C4OC(=O)/C=C\C=C/C5OC(C/C(C)=C\C(=O)OCC2(CC1)C4(C)C31CO1)OC5C

1 reference

based on heuristic

inferred from InChI

found in taxon

Albifimbria verrucaria

1 reference

stated in

Roridin L, M and verrucarin M, new macrocyclic trichothecene group antitumor antibiotics, from Myrothecium verrucaria

Myrothecium verrucaria

1 reference

stated in

Roridin L, M and verrucarin M, new macrocyclic trichothecene group antitumor antibiotics, from Myrothecium verrucaria

Identifiers

InChI

InChI=1S/C29H36O9/c1-16-9-10-28-14-33-22(31)12-17(2)13-23-35-18(3)19(36-23)7-5-6-8-21(30)38-25-24(32)26(37-20(28)11-16)29(15-34-29)27(25,28)4/h5-8,11-12,18-20,23-26,32H,9-10,13-15H2,1-4H3/b7-5-,8-6-,17-12-

0 references

InChIKey

DRYUAYDRFAXIBH-VUSCAAFMSA-N

2 references

language of work or name

English

stated in

Natural Product Atlas

PubChem CID

22829503

language of work or name

2 references

language of work or name

English

matched by identifier from

InChIKey

DRYUAYDRFAXIBH-VUSCAAFMSA-N

ChEBI ID

200730

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C29H36O9/c1-16-9-10-28-14-33-22(31)12-17(2)13-23-35-18(3)19(36-23)7-5-6-8-21(30)38-25-24(32)26(37-20(28)11-16)29(15-34-29)27(25,28)4/h5-8,11-12,18-20,23-26,32H,9-10,13-15H2,1-4H3/b7-5-,8-6-,17-12-

1 reference

Natural Product Atlas ID

NPA003692

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

DRYUAYDRFAXIBH-VUSCAAFMSA-N

(Q77279868)

Roridin M

Statements

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