Chemical Formula: C21H34O6
Chemical Formula C21H34O6
Found 112 metabolite its formula value is C21H34O6
Methyl 8beta,17-epoxy-3beta,7beta,15-trihydroxy-12(E)-labden-16-oate
Stemphyloxin I
An octahydronaphthalene that is 2,4,5,7-tetramethyloctahydronaphthalen-1(2H)-one which is substituted by hydroxy groups at positions 2 and 7, a (2R)-1-hydroxybutan-2-yl group at position 3, and a (2Z)-3-hydroxyprop-2-enoyl group at position 4 (the 2S,3R,4R,4aS,5R,7R,8aS stereoisomer). Isolated from the endophytic fungus Stemphylium botryosum, it is the causal agent of leaf spot and foliage blight disease in tomatoes. Its phytotoxcity is at least 200 times greater than that of stemphyloxin II. It shows high affinity for Fe(3+) (but not Fe(2+)) ions.
(+)-protopraesorediosic acid|(2R,3S)-Protopraesorediosic acid
1-Acetoxyprotolichesteric acid|13-acetoxyprotolichesterinic acid
17(S),20(R)-pregn-5-ene-3beta,11alpha,12beta,14beta,19,20-hexol|volubilol
3-carboxy-5-(carboxymethyl)-4-tetradecyl-1-oxacyclopent-3-en-2-one
(3alpha,5beta,6alpha,11beta,17alphaOH)-3,6,11,17,21-Pentahydroxypregnan-20-one
8alpha-methoxyl-14-deoxy-17beta-hydroxyandrographolide
methyl 6beta,7beta,16beta,17-tetrahydroxy-ent-kauran-18-oate
(4S*,5S*,7R*)-1,4-dimethyl-7-[(1-methyl-1-beta-D-fucopyranosyloxy)ethyl]spiro[4.4]non-1-ene-2-carbaldehyde
(2R*,5S*,10S*)-6,10-dimethyl-2-[(1-methyl-1-beta-D-fucopyranosyloxy)ethyl]spiro[4.5]dec-6-en-8-one
(2R*,5S*,10S*)-10-methyl-6-methylene-2-[(1-methyl-1-beta-D-fucopyranosyloxy)ethyl]spiro[4.5]decan-8-one
stemphyloxin II
A carbotricyclic compound that is betaenone A in which the butan-2-yl side-chain has been hydroxylated at position 1. A phytotoxin isolated from the endophytic fungus Stemphylium botryosum, it shows high affinity for ferric (but not ferrous) ions.
3beta,5beta,6beta,14beta,16alpha-pentahydroxy-2beta-methoxygrayan-10(20)-ene|rhodomolin A
1beta,3alpha,17alpha,20beta,21-Pentahydroxy-5beta-pregnan-11-on
(1,9,9b-trihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-5-yl) hexanoate
(1,9,9b-trihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-5-yl) hexanoate
(1,9,9b-trihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-5-yl) hexanoate [IIN-based: Match]
(1,9,9b-trihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-5-yl) hexanoate [IIN-based on: CCMSLIB00000847252]
(1,9,9b-trihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-5-yl) hexanoate_major
1(2H)-Naphthalenone, octahydro-2,7-dihydroxy-3-((1R)-1-(hydroxymethyl)propyl)-4-((2Z)-3-hydroxy-1-oxo-2-propenyl)-2,4,5,7-tetramethyl-, (2S,3R,4R,4aS,5R,7R,8aS)-rel-
rel-(4S,5S,7R)-1,4-Dimethyl-7-[(1-methyl-1-beta-D-fucopyranosyloxy)ethyl]spiro[4.4]non-1-ene-2-carbaldehyde
A natural product found in Carthamus oxyacantha.
rel-(2R,5S,10S)-6,10-Dimethyl-2-[(1-methyl-1-beta-D-fucopyranosyloxy)ethyl]spiro[4.5]dec-6-en-8-one
A natural product found in Carthamus oxyacantha.
rel-(2R,5S,10S)-10-Methyl-6-methylene-2-[(1-methyl-1-beta-D-fucopyranosyloxy)ethyl]spiro[4.5]decan-8-one
A natural product found in Carthamus oxyacantha.
(1s,2r,4r,6r,7s,8r,10z,11r,12r)-1,4,11-trihydroxy-12-[(2s)-1-hydroxybutan-2-yl]-10-(hydroxymethylidene)-4,6,8,11-tetramethyltricyclo[6.2.2.0²,⁷]dodecan-9-one
2,7-dihydroxy-3-(1-hydroxybutan-2-yl)-4-(3-hydroxyprop-2-enoyl)-2,4,5,7-tetramethyl-hexahydronaphthalen-1-one
(1s,3as,3br,7s,9as,9bs,10s,11s,11as)-1-[(1r)-1-hydroxyethyl]-9a-(hydroxymethyl)-11a-methyl-1h,2h,3h,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-3a,7,10,11-tetrol
1,4,11-trihydroxy-12-(1-hydroxybutan-2-yl)-10-(hydroxymethylidene)-4,6,8,11-tetramethyltricyclo[6.2.2.0²,⁷]dodecan-9-one
methyl (1r,2r,3s,4s,5s,9s,10s,13r,14s)-2,3,14-trihydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate
1-(1-hydroxyethyl)-9a,11a-dimethyl-2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-1,3a,3b,7,11-pentol
methyl (2e)-4-[(1r,2s,3s,4ar,6s,8ar)-3,6-dihydroxy-5,5,8a-trimethyl-hexahydro-1h-spiro[naphthalene-2,2'-oxiran]-1-yl]-2-(2-hydroxyethyl)but-2-enoate
(2s,3r,4s,4as,5r,7r,8as)-2,7-dihydroxy-3-[(2r)-1-hydroxybutan-2-yl]-4-[(2z)-3-hydroxyprop-2-enoyl]-2,4,5,7-tetramethyl-hexahydronaphthalen-1-one
(2s,3r,4r,4as,5r,7r,8as)-2,7-dihydroxy-3-[(2r)-1-hydroxybutan-2-yl]-4-[(2z)-3-hydroxyprop-2-enoyl]-2,4,5,7-tetramethyl-hexahydronaphthalen-1-one
(2s,5r)-5-hydroxy-2-[(5e,9r)-2,9,10-trihydroxy-6,10-dimethylundec-5-en-2-yl]-3,5,6,7-tetrahydro-2h-1-benzofuran-4-one
(1s,3ar,3bs,7s,9ar,9bs,10s,11s,11as)-1-[(1s)-1-hydroxyethyl]-9a,11a-dimethyl-1h,2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-3a,3b,7,10,11-pentol
3,6,11,17,21-pentahydroxypregnan-20-one
{"Ingredient_id": "HBIN007684","Ingredient_name": "3,6,11,17,21-pentahydroxypregnan-20-one","Alias": "NA","Ingredient_formula": "C21H34O6","Ingredient_Smile": "CC12CCC(CC1C(CC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O)O)O","Ingredient_weight": "382.49","OB_score": "NA","CAS_id": "67010-77-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8248","PubChem_id": "194242","DrugBank_id": "NA"}