Exact Mass: 527.1863

Exact Mass Matches: 527.1863

Found 94 metabolites which its exact mass value is equals to given mass value 527.1863, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Daunorubicin

(8S,10S)-8-acetyl-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione

C27H29NO10 (527.1791)


Daunorubicin is only found in individuals that have used or taken this drug. It is a very toxic anthracycline aminoglycoside antineoplastic isolated from Streptomyces peucetius and others, used in treatment of leukemia and other neoplasms. [PubChem]Daunorubicin has antimitotic and cytotoxic activity through a number of proposed mechanisms of action: Daunorubicin forms complexes with DNA by intercalation between base pairs, and it inhibits topoisomerase II activity by stabilizing the DNA-topoisomerase II complex, preventing the religation portion of the ligation-religation reaction that topoisomerase II catalyzes. L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01D - Cytotoxic antibiotics and related substances > L01DB - Anthracyclines and related substances C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C259 - Antineoplastic Antibiotic C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D004791 - Enzyme Inhibitors KEIO_ID D106

   

4-O-(beta-L-Araf-(1->2)-beta-L-Araf-(1->2)-beta-L-Araf)-cis-L-Hyp

4-O-(beta-L-Arabinofuranosyl-(1->2)-beta-L-arabinofuranosyl-(1->2)-beta-L-arabinofuranosyl)-(2S,4S)-4-hydroxyproline; (Ara-f)3-Hyp

C20H33NO15 (527.185)


An O(4)-glycosyl-L-hydroxyproline that is cis-L-hydroxylproline glycosylated by a beta-L-Araf-(1->2)-beta-L-Araf-(1->2)-beta-L-Araf moiety

   

Esorubicin

10-[(4-amino-6-methyloxan-2-yl)oxy]-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione

C27H29NO10 (527.1791)


D000970 - Antineoplastic Agents

   

N-Demethylmenogaril

4,8,12,22,24-pentahydroxy-10-methoxy-1,12-dimethyl-23-(methylamino)-20,25-dioxahexacyclo[19.3.1.0^{2,19}.0^{5,18}.0^{7,16}.0^{9,14}]pentacosa-2,4,7,9(14),15,18-hexaene-6,17-dione

C27H29NO10 (527.1791)


   

Cerubidin

8-acetyl-10-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-6,8,11-trihydroxy-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione

C27H29NO10 (527.1791)


   

Pirozadil

{6-[(3,4,5-trimethoxybenzoyloxy)methyl]pyridin-2-yl}methyl 3,4,5-trimethoxybenzoic acid

C27H29NO10 (527.1791)


   

DTXSID50992461

DTXSID50992461

C27H29NO10 (527.1791)


   

Dapriamicin B

Dapriamicin B

C21H29N5O11 (527.1863)


   

Aristophyllide D

Aristophyllide D

C31H29NO7 (527.1944)


   

Aristoloterpenate II

Aristoloterpenate II

C31H29NO7 (527.1944)


   

(2,6-epoxy-1,2alpha,3beta,4alpha,5alpha-pentahydroxy)hexane-(1->6)-5,6-dihydrochelerythrine|maclekarpine D

(2,6-epoxy-1,2alpha,3beta,4alpha,5alpha-pentahydroxy)hexane-(1->6)-5,6-dihydrochelerythrine|maclekarpine D

C27H29NO10 (527.1791)


   

Esorubicin

Esorubicin

C27H29NO10 (527.1791)


   

Daunorubicin

Daunorubicin

C27H29NO10 (527.1791)


L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01D - Cytotoxic antibiotics and related substances > L01DB - Anthracyclines and related substances C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C259 - Antineoplastic Antibiotic C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent A natural product found in Actinomadura roseola. D004791 - Enzyme Inhibitors

   

Cys Phe Met Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-4-carbamoylbutanoic acid

C22H33N5O6S2 (527.1872)


   

Cys Phe Gln Met

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]-4-carbamoylbutanamido]-4-(methylsulfanyl)butanoic acid

C22H33N5O6S2 (527.1872)


   

Cys Gly Trp Tyr

(2S)-2-[(2S)-2-{2-[(2R)-2-amino-3-sulfanylpropanamido]acetamido}-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C25H29N5O6S (527.1838)


   

Cys Gly Tyr Trp

(2S)-2-[(2S)-2-{2-[(2R)-2-amino-3-sulfanylpropanamido]acetamido}-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C25H29N5O6S (527.1838)


   

Cys Met Phe Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-4-carbamoylbutanoic acid

C22H33N5O6S2 (527.1872)


   

Cys Met Gln Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]-3-phenylpropanoic acid

C22H33N5O6S2 (527.1872)


   

Cys Gln Phe Met

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-carbamoylbutanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanoic acid

C22H33N5O6S2 (527.1872)


   

Cys Gln Met Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanoic acid

C22H33N5O6S2 (527.1872)


   

Cys Trp Gly Tyr

(2S)-2-{2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]acetamido}-3-(4-hydroxyphenyl)propanoic acid

C25H29N5O6S (527.1838)


   

Cys Trp Tyr Gly

2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]acetic acid

C25H29N5O6S (527.1838)


   

Cys Tyr Gly Trp

(2S)-2-{2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-3-(1H-indol-3-yl)propanoic acid

C25H29N5O6S (527.1838)


   

Cys Tyr Trp Gly

2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]acetic acid

C25H29N5O6S (527.1838)


   

Phe Cys Met Gln

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-4-carbamoylbutanoic acid

C22H33N5O6S2 (527.1872)


   

Phe Cys Gln Met

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]-4-carbamoylbutanamido]-4-(methylsulfanyl)butanoic acid

C22H33N5O6S2 (527.1872)


   

Phe Met Cys Gln

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-4-carbamoylbutanoic acid

C22H33N5O6S2 (527.1872)


   

Phe Met Gln Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]-3-sulfanylpropanoic acid

C22H33N5O6S2 (527.1872)


   

Phe Gln Cys Met

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-carbamoylbutanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoic acid

C22H33N5O6S2 (527.1872)


   

Phe Gln Met Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoic acid

C22H33N5O6S2 (527.1872)


   

Gly Cys Trp Tyr

(2S)-2-[(2S)-2-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C25H29N5O6S (527.1838)


   

Gly Cys Tyr Trp

(2S)-2-[(2S)-2-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C25H29N5O6S (527.1838)


   

Gly Trp Cys Tyr

(2S)-2-[(2R)-2-[(2S)-2-(2-aminoacetamido)-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C25H29N5O6S (527.1838)


   

Gly Trp Tyr Cys

(2R)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoic acid

C25H29N5O6S (527.1838)


   

Gly Tyr Cys Trp

(2S)-2-[(2R)-2-[(2S)-2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C25H29N5O6S (527.1838)


   

Gly Tyr Trp Cys

(2R)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanoic acid

C25H29N5O6S (527.1838)


   

Met Cys Phe Gln

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-phenylpropanamido]-4-carbamoylbutanoic acid

C22H33N5O6S2 (527.1872)


   

Met Cys Gln Phe

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-4-carbamoylbutanamido]-3-phenylpropanoic acid

C22H33N5O6S2 (527.1872)


   

Met Phe Cys Gln

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-3-sulfanylpropanamido]-4-carbamoylbutanoic acid

C22H33N5O6S2 (527.1872)


   

Met Phe Gln Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-4-carbamoylbutanamido]-3-sulfanylpropanoic acid

C22H33N5O6S2 (527.1872)


   

Met Gln Cys Phe

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]-3-sulfanylpropanamido]-3-phenylpropanoic acid

C22H33N5O6S2 (527.1872)


   

Met Gln Phe Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]-3-phenylpropanamido]-3-sulfanylpropanoic acid

C22H33N5O6S2 (527.1872)


   

Gln Cys Phe Met

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-sulfanylpropanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanoic acid

C22H33N5O6S2 (527.1872)


   

Gln Cys Met Phe

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanoic acid

C22H33N5O6S2 (527.1872)


   

Gln Phe Cys Met

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-phenylpropanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoic acid

C22H33N5O6S2 (527.1872)


   

Gln Phe Met Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoic acid

C22H33N5O6S2 (527.1872)


   

Gln Met Cys Phe

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-phenylpropanoic acid

C22H33N5O6S2 (527.1872)


   

Gln Met Phe Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-3-sulfanylpropanoic acid

C22H33N5O6S2 (527.1872)


   

Trp Cys Gly Tyr

(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]acetamido}-3-(4-hydroxyphenyl)propanoic acid

C25H29N5O6S (527.1838)


   

Trp Cys Tyr Gly

2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]acetic acid

C25H29N5O6S (527.1838)


   

Trp Gly Cys Tyr

(2S)-2-[(2R)-2-{2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]acetamido}-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C25H29N5O6S (527.1838)


   

Trp Gly Tyr Cys

(2R)-2-[(2S)-2-{2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]acetamido}-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoic acid

C25H29N5O6S (527.1838)


   

Trp Tyr Cys Gly

2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]acetic acid

C25H29N5O6S (527.1838)


   

Trp Tyr Gly Cys

(2R)-2-{2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-3-sulfanylpropanoic acid

C25H29N5O6S (527.1838)


   

Tyr Cys Gly Trp

(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]acetamido}-3-(1H-indol-3-yl)propanoic acid

C25H29N5O6S (527.1838)


   

Tyr Cys Trp Gly

2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]acetic acid

C25H29N5O6S (527.1838)


   

Tyr Gly Cys Trp

(2S)-2-[(2R)-2-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C25H29N5O6S (527.1838)


   

Tyr Gly Trp Cys

(2R)-2-[(2S)-2-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanoic acid

C25H29N5O6S (527.1838)


   

Tyr Trp Cys Gly

2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]acetic acid

C25H29N5O6S (527.1838)


   

Tyr Trp Gly Cys

(2R)-2-{2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]acetamido}-3-sulfanylpropanoic acid

C25H29N5O6S (527.1838)


   

Pirozadil

Pirozadil

C27H29NO10 (527.1791)


C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98151 - Niacin-based Antilipidemic Agent

   

Barnidipine

Barnidipine hydrochloride

C27H30ClN3O6 (527.1823)


D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators

   

Daunorubicine

Daunorubicine

C27H29NO10 (527.1791)


   

Ara3-Hyp

Ara3-Hyp

C20H33NO15 (527.185)


   

(7S,9S)-9-acetyl-7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

(7S,9S)-9-acetyl-7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

C27H29NO10 (527.1791)


   

(7R,9S)-9-acetyl-7-[[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]oxy]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

(7R,9S)-9-acetyl-7-[[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]oxy]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

C27H29NO10 (527.1791)


   

dCpdT

dCpdT

C21H30N5O9P (527.1781)


   

(2R,4S)-4-[[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]methyl]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracene-2-carboxylic acid

(2R,4S)-4-[[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]methyl]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracene-2-carboxylic acid

C27H29NO10 (527.1791)


   

9-acetyl-7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

9-acetyl-7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

C27H29NO10 (527.1791)


   

4-O-(beta-L-Araf-(1->2)-beta-L-Araf-(1->2)-beta-L-Araf)-cis-L-Hyp zwitterion

4-O-(beta-L-Araf-(1->2)-beta-L-Araf-(1->2)-beta-L-Araf)-cis-L-Hyp zwitterion

C20H33NO15 (527.185)


An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 4-O-(beta-L-Araf-(1->2)-beta-L-Araf-(1->2)-beta-L-Araf)-cis-L-Hyp.

   

dTpdC

dTpdC

C21H30N5O9P (527.1781)


   

ST 22:5;O7;Tau

ST 22:5;O7;Tau

C24H33NO10S (527.1825)


   

10-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-8,11-dihydroxy-8-(2-hydroxyacetyl)-1-methoxy-9,10-dihydro-7h-tetracene-5,12-dione

10-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-8,11-dihydroxy-8-(2-hydroxyacetyl)-1-methoxy-9,10-dihydro-7h-tetracene-5,12-dione

C27H29NO10 (527.1791)


   

(1r,2z,6z,10e)-3-formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-yl 6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate

(1r,2z,6z,10e)-3-formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-yl 6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate

C31H29NO7 (527.1944)


   

aristoloterpenate i; 8-demethoxy

NA

C31H29NO7 (527.1944)


{"Ingredient_id": "HBIN016834","Ingredient_name": "aristoloterpenate i; 8-demethoxy","Alias": "NA","Ingredient_formula": "C31H29NO7","Ingredient_Smile": "NA","Ingredient_weight": "527.56","OB_score": "NA","CAS_id": "222403-62-5","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6648","PubChem_id": "NA","DrugBank_id": "NA"}

   

aristoloterpenate i; 8-demethoxy,2'e-isomer

NA

C31H29NO7 (527.1944)


{"Ingredient_id": "HBIN016835","Ingredient_name": "aristoloterpenate i; 8-demethoxy,2'e-isomer","Alias": "NA","Ingredient_formula": "C31H29NO7","Ingredient_Smile": "NA","Ingredient_weight": "527.56","OB_score": "NA","CAS_id": "222403-63-6","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6647","PubChem_id": "NA","DrugBank_id": "NA"}

   

aristophyllide a; 5',12'-diepimer,demethoxy

NA

C31H29NO7 (527.1944)


{"Ingredient_id": "HBIN016840","Ingredient_name": "aristophyllide a; 5',12'-diepimer,demethoxy","Alias": "NA","Ingredient_formula": "C31H29NO7","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6644","PubChem_id": "NA","DrugBank_id": "NA"}

   

aristophyllide a; demethoxy

NA

C31H29NO7 (527.1944)


{"Ingredient_id": "HBIN016841","Ingredient_name": "aristophyllide a; demethoxy","Alias": "NA","Ingredient_formula": "C31H29NO7","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6643","PubChem_id": "NA","DrugBank_id": "NA"}

   

(1r,6e,10e)-3-formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-yl 6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate

(1r,6e,10e)-3-formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-yl 6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate

C31H29NO7 (527.1944)


   

(1r,2e,6z,10e)-3-formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-yl 6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate

(1r,2e,6z,10e)-3-formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-yl 6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate

C31H29NO7 (527.1944)


   

(1r,2z,6e,10e)-3-formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-yl 6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate

(1r,2z,6e,10e)-3-formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-yl 6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate

C31H29NO7 (527.1944)


   

(2r)-1-[(5r,6r)-5-ethenyl-5-methyl-6-(3-oxoprop-1-en-2-yl)cyclohex-1-en-1-yl]propan-2-yl 6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate

(2r)-1-[(5r,6r)-5-ethenyl-5-methyl-6-(3-oxoprop-1-en-2-yl)cyclohex-1-en-1-yl]propan-2-yl 6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate

C31H29NO7 (527.1944)


   

(2s,3s,4r,5r)-2-[(s)-[(20s)-17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-yl](hydroxy)methyl]oxane-2,3,4,5-tetrol

(2s,3s,4r,5r)-2-[(s)-[(20s)-17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-yl](hydroxy)methyl]oxane-2,3,4,5-tetrol

C27H29NO10 (527.1791)


   

(2s)-1-[(5r,6s)-5-ethenyl-5-methyl-6-(3-oxoprop-1-en-2-yl)cyclohex-1-en-1-yl]propan-2-yl 6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate

(2s)-1-[(5r,6s)-5-ethenyl-5-methyl-6-(3-oxoprop-1-en-2-yl)cyclohex-1-en-1-yl]propan-2-yl 6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate

C31H29NO7 (527.1944)


   

(8s,10s)-8-acetyl-10-{[(2r,4r,5s,6s)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-1-methoxy-9,10-dihydro-7h-tetracene-5,12-dione

(8s,10s)-8-acetyl-10-{[(2r,4r,5s,6s)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-1-methoxy-9,10-dihydro-7h-tetracene-5,12-dione

C27H29NO10 (527.1791)


   

(8s,10r)-10-{[(2s,4r,5r,6r)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-8,11-dihydroxy-8-(2-hydroxyacetyl)-1-methoxy-9,10-dihydro-7h-tetracene-5,12-dione

(8s,10r)-10-{[(2s,4r,5r,6r)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-8,11-dihydroxy-8-(2-hydroxyacetyl)-1-methoxy-9,10-dihydro-7h-tetracene-5,12-dione

C27H29NO10 (527.1791)


   

18-ethyl-9,10,20-trihydroxy-8-methoxy-7,20,23-trimethyl-4,6,19-trioxa-22-azahexacyclo[12.11.0.0³,¹¹.0⁵,¹⁰.0¹⁶,²⁵.0¹⁷,²²]pentacosa-1(25),3(11),13,16,23-pentaene-2,12,15-trione

18-ethyl-9,10,20-trihydroxy-8-methoxy-7,20,23-trimethyl-4,6,19-trioxa-22-azahexacyclo[12.11.0.0³,¹¹.0⁵,¹⁰.0¹⁶,²⁵.0¹⁷,²²]pentacosa-1(25),3(11),13,16,23-pentaene-2,12,15-trione

C27H29NO10 (527.1791)


   

(8s,10s)-10-{[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-8,11-dihydroxy-8-(2-hydroxyacetyl)-1-methoxy-9,10-dihydro-7h-tetracene-5,12-dione

(8s,10s)-10-{[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-8,11-dihydroxy-8-(2-hydroxyacetyl)-1-methoxy-9,10-dihydro-7h-tetracene-5,12-dione

C27H29NO10 (527.1791)


   

(5s,7r,8s,9r,10r,18r,20r)-18-ethyl-9,10,20-trihydroxy-8-methoxy-7,20,23-trimethyl-4,6,19-trioxa-22-azahexacyclo[12.11.0.0³,¹¹.0⁵,¹⁰.0¹⁶,²⁵.0¹⁷,²²]pentacosa-1(25),3(11),13,16,23-pentaene-2,12,15-trione

(5s,7r,8s,9r,10r,18r,20r)-18-ethyl-9,10,20-trihydroxy-8-methoxy-7,20,23-trimethyl-4,6,19-trioxa-22-azahexacyclo[12.11.0.0³,¹¹.0⁵,¹⁰.0¹⁶,²⁵.0¹⁷,²²]pentacosa-1(25),3(11),13,16,23-pentaene-2,12,15-trione

C27H29NO10 (527.1791)


   

(2s)-1-[(5r,6r)-5-ethenyl-5-methyl-6-(3-oxoprop-1-en-2-yl)cyclohex-1-en-1-yl]propan-2-yl 6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate

(2s)-1-[(5r,6r)-5-ethenyl-5-methyl-6-(3-oxoprop-1-en-2-yl)cyclohex-1-en-1-yl]propan-2-yl 6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate

C31H29NO7 (527.1944)


   

2-({17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-yl}(hydroxy)methyl)oxane-2,3,4,5-tetrol

2-({17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-yl}(hydroxy)methyl)oxane-2,3,4,5-tetrol

C27H29NO10 (527.1791)


   

(1r,2e,6e,10e)-3-formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-yl 6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate

(1r,2e,6e,10e)-3-formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-yl 6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate

C31H29NO7 (527.1944)


   

2-{[(2r,3r,4r,5s,6r)-5-{[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino}-4-methoxy-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

2-{[(2r,3r,4r,5s,6r)-5-{[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino}-4-methoxy-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

C21H29N5O11 (527.1863)