Exact Mass: 1174.6022302000001

Theasaponin C1

C57H90O25 (1174.577089)

Theasaponin c1 is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Theasaponin c1 can be found in tea, which makes theasaponin c1 a potential biomarker for the consumption of this food product.

Theasaponin C1

C57H90O25 (1174.577089)

Janthinocin C

C57H82N12O15 (1174.6022302000001)

Calendulaglycoside A 6-butyl ester

C58H94O24 (1174.6134723999999)

quillaic acid alpha-L-arabinopyranosyl-(1->4)-alpha-L-arabinopyranosyl-(1->3)-beta-D-xylopyranosyl-(1->4)-alpha-L-rhamnopyranosyl-(1->2)-beta-D-fucopyranosyl ester

C57H90O25 (1174.577089)

3-O-beta-D-xylopyranosyl(1->6)-beta-D-glucopyranosyl(1->6)-beta-D-glucopyranosido-21-O-4-tigloyl-beta-D-glucopyranosyl sitakisogenin

C58H94O24 (1174.6134723999999)

3-beta-[(alpha-L-xylopyranosyl-(1->2)-O-alpha-L-arabinopyranosyl)oxy]-30-norolean-12-en-28-oic acid alpha-L-rhamnopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->6)-O-beta-D-glucopyranosyl ester|Mutangsaponin E

C57H90O25 (1174.577089)

cycloforskamide

C54H86N12O11S3 (1174.5700846)

Yemuoside I

C57H90O25 (1174.577089)

22-O-tigloylbarrigenol A1 3-O-[beta-D-galactopyranosyl(1->2)] [beta-D-xylopyranosyl(1->2)-alpha-L-arabinopyranosyl(1->3)]-beta-D-glucopyranosiduronic acid|chakasaponin IV

C57H90O25 (1174.577089)

28-O-beta-D-glucopyranosyloleanolic acid 3-O-beta-D-glucopyranosyl(1->2)-[beta-D-galactopyranosyl(1->3)]-beta-D-glucuronopyranoside-6-O-n-butyl ester|calendulaglycoside A 6-O-n-butyl ester

C58H94O24 (1174.6134723999999)

3-O-alpha-L-arabinopyranosyl-(1->3)-[alpha-L-rhamnopyranosyl-(1->2)-]-alpha-L-arabinopyranosyl-akebonoic acid 28-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl ester|yemuoside YM24

C57H90O25 (1174.577089)

Yemuoside YM7

C57H90O25 (1174.577089)

quillaic acid alpha-L-Arap-(1->4)-alpha-L-Arap-(1->3)-beta-D-Xylp-(1->4)-alpha-L-Rhap-(1->2)-beta-D-fucopyranosyl ester

C57H90O25 (1174.577089)

A triterpenoid saponin that is the pentasaccharide derivative of quillaic acid. Isolated from the roots of Gypsophila oldhamiana, it exhibits immunomodulatory activity.

gordonoside J

C57H90O25 (1174.577089)

A triterpenoid saponin that is 3,15,16,28-tetrahydroxyolean-12-en-22-yl (2Z)-2-methylbut-2-enoate attached to a tetrasaccharide residue at position 3 via a glycosidic linkage. Isolated from the stems of Gordonia chrysandra, it exhibits a strong inhibitory effect on nitric oxide production.

MLCL 54:12

C63H100O16P2 (1174.648626)

PIM2 36:8

C57H91O23P (1174.5688466000001)

mTRP-2 (180-188)

C61H78N10O14 (1174.5698688)

mTRP-2 (180-188) is a murine tyrosinase-related protein 2 (TRP-2) -derived peptide, corresponding to residues 180-188. TRP-2 (180-188) is identified as the major reactive epitope within TRP-2 recognized by anti-B16 CTLs[1].

3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl 10-{[3-({3,5-dihydroxy-6-methyl-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]oxy}-6a,6b,9,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate

C57H90O25 (1174.577089)

butyl 6-{[4,4,6a,6b,11,11,14b-heptamethyl-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3-hydroxy-4,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxane-2-carboxylate

C58H94O24 (1174.6134723999999)

4-({4,5-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3-hydroxy-6-{[8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-9-[(2-methylbut-2-enoyl)oxy]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid

C57H90O25 (1174.577089)

(2s,3s,4s,5r,6r)-6-{[(3s,4ar,6ar,6bs,7r,8s,8ar,9s,12as,14ar,14br)-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-[(2-methylbut-2-enoyl)oxy]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-4-{[(2s,3r,4s,5s)-4,5-dihydroxy-3-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-5-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid

C57H90O25 (1174.577089)

2-amino-n-[6-(3-aminopropyl)-3-benzyl-15-ethylidene-5,11,14,17,20,23,26-heptahydroxy-18-(1-hydroxy-2-methylpropyl)-24-(1-hydroxyethyl)-12,21-bis(hydroxymethyl)-9-(1h-indol-3-ylmethylidene)-28-isopropyl-2,8-dioxo-1-oxa-4,7,10,13,16,19,22,25-octaazacyclooctacosa-4,10,13,16,19,22,25-heptaen-27-yl]-3-methylpentanimidic acid

C57H82N12O15 (1174.6022302000001)

3β,21β,24-trihydroxyserrat-14-ene

C58H94O24 (1174.6134723999999)

{"Ingredient_id": "HBIN008058","Ingredient_name": "3\u03b2,21\u03b2,24-trihydroxyserrat-14-ene","Alias": "NA","Ingredient_formula": "C58H94O24","Ingredient_Smile": "CC=C(C)C(=O)OC1C(OC(C(C1O)O)OC2CC3(C(CC2(C)C)C4=CCC5C6(CCC(C(C6CCC5(C4(CC3O)C)C)(C)C)OC7C(C(C(C(O7)COC8C(C(C(C(O8)COC9C(C(C(CO9)O)O)O)O)O)O)O)O)O)C)CO)CO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42518","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

(2r,3s,4r,5r,6r)-6-{[(3s,4as,5s,6as,6br,8ar,10s,12ar,12br,14bs)-5-hydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-10-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicen-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl (2e)-2-methylbut-2-enoate

C58H94O24 (1174.6134723999999)

(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl (4as,6as,6br,8ar,10s,12ar,12br,14bs)-10-{[(2s,3r,4s,5s)-4,5-dihydroxy-3-{[(2s,3s,4r,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-6a,6b,9,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate

C57H90O25 (1174.577089)

(2r,3s)-2-amino-n-[(3r,6s,9z,12s,15e,18s,21r,24s,27s,28r)-6-(3-aminopropyl)-3-benzyl-15-ethylidene-5,8,11,14,17,20,23,26-octahydroxy-18-[(1s)-1-hydroxy-2-methylpropyl]-24-[(1r)-1-hydroxyethyl]-12,21-bis(hydroxymethyl)-9-(1h-indol-3-ylmethylidene)-28-isopropyl-2-oxo-1-oxa-4,7,10,13,16,19,22,25-octaazacyclooctacosa-4,7,10,13,16,19,22,25-octaen-27-yl]-3-methylpentanimidic acid

C57H82N12O15 (1174.6022302000001)

(2s,3r,4s,5r,6r)-3-{[(2s,3r,4s,5r,6s)-5-{[(2s,3r,4s,5r)-4-{[(2s,3r,4r,5s)-3,4-dihydroxy-5-{[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-4,5-dihydroxy-6-methyloxan-2-yl (4ar,5r,6as,6br,8ar,9s,10s,12ar,14bs)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate

C57H90O25 (1174.577089)

butyl (2s,3s,4s,5r,6r)-6-{[(3s,4ar,6ar,6bs,8as,12as,14ar,14br)-4,4,6a,6b,11,11,14b-heptamethyl-8a-({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3-hydroxy-4-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylate

C58H94O24 (1174.6134723999999)

3-[(5-{[4-({3,4-dihydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3,5-dihydroxyoxan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl)oxy]-4,5-dihydroxy-6-methyloxan-2-yl 9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate

C57H90O25 (1174.577089)

2-amino-n-[(9z,15z)-6-(3-aminopropyl)-3-benzyl-15-ethylidene-5,8,11,14,17,20,23,26-octahydroxy-18-(1-hydroxy-2-methylpropyl)-24-(1-hydroxyethyl)-12,21-bis(hydroxymethyl)-9-(1h-indol-3-ylmethylidene)-28-isopropyl-2-oxo-1-oxa-4,7,10,13,16,19,22,25-octaazacyclooctacosa-4,7,10,13,16,19,22,25-octaen-27-yl]-3-methylpentanimidic acid

C57H82N12O15 (1174.6022302000001)

(2s,3r,4s,5r,6r)-3-{[(2s,3r,4s,5r,6s)-5-{[(2s,3r,4s,5r)-4-{[(2s,3r,4r,5s)-3,4-dihydroxy-5-{[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-4,5-dihydroxy-6-methyloxan-2-yl (4ar,5r,6as,6br,8ar,9s,10s,12ar,12br,14bs)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate

C57H90O25 (1174.577089)

butyl (2s,3s,4s,5r,6r)-6-{[(3s,4ar,6ar,6bs,8as,12as,14ar,14br)-4,4,6a,6b,11,11,14b-heptamethyl-8a-({[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3-hydroxy-4-{[(2r,3s,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylate

C58H94O24 (1174.6134723999999)

(2s,3s,4s,5r,6r)-6-{[(3s,4r,4ar,6ar,6bs,8r,8ar,9s,12as,14ar,14br)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-9-{[(2z)-2-methylbut-2-enoyl]oxy}-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-4-{[(2s,3r,4s,5s)-4,5-dihydroxy-3-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-5-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid

C57H90O25 (1174.577089)

6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 10-({4,5-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-6a,6b,9,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate

C57H90O25 (1174.577089)