"Twins" retrives similar metabolites in chemical structure.
last update : 2020.01.06
KNApSAcK CID : ex.) C00000001


and

Similarity (%) : ex.) 98
% or more




INPUT WORD = C00012604 , 50% or more
[ Metabolite Name : [3S-[3alpha,4beta,7bbeta(1S*,2R*)]]-7-(2-Hydroxy-1,4-dimethyl-3-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptan-4-ol , Isotrichodiol ]
Number of matched data : 65

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00012644 Isotrichodermol
3-Hydroxytrichothecene		 94.87
C00012603 12,13-Epoxytrichothec-9-ene 94.74
C00012623 Sambucoin
[3aS-(3aalpha,5aalpha,9abeta,9balpha)]-1,3a,4,5a,8,9,9a,9b-Octahydro-3a-hydroxy-7,9a,9b-trimethycyclopenta[c][1]benzopyran-3(2H)-one		 94.74
C00012659 Trichodiol 92.11
C00012657 7alpha-Hydroxytrichodermol 90.24
C00036239 Verrucarol 90.24
C00012624 8alpha-Hydroxysambucoin 90.00
C00012625 8beta-Hydroxysambucoin 90.00
C00012646 Roridin C
Trichodermol
12,13-Epoxy-trichothec-9-en-4beta-ol		 89.74
C00012520 Cuprenolide 89.47
C00012521 Cuprenolidol 89.47
C00012652 Trichodiol A
(+)-2-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-2-methyl-6-oxabicyclo[3.1.0]hexane-1-methanol		 89.47
C00017349 Furanofukinol 89.47
C00020356 Procurcumadiol 89.47
C00020386 8alpha-Hydroxydolichlasin 89.47
C00021319 10,12-Dihydroxy-3-longipinen-5-one 89.47
C00021990 Punctaporonin A 89.47
C00021991 Punctaporonin D 89.47
C00021997 Sambucinic acid 89.47
C00012622 Sambucinol 87.80
C00015733 Curvularol 87.80
C00046802 Loukacinol B
(+)-Loukacinol B		 87.80
C00012655 [3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Trichotriol		 87.50
C00003358 Quadrone 87.18
C00021840 Isoquadrone 87.18
C00003174 Piperdial 86.84
C00003218 Aromaticin 86.84
C00003237 Confertin 86.84
C00007240 cis,trans-Xanthoxin
2-cis,2-trans-Xanthoxin
(-)-Xanthoxin		 86.84
C00011576 Trisporone 86.84
C00012704 6alpha,15alpha-Epoxy-1beta,4beta-dihydroxyeudesmane
[2aS-(2aalpha,5alpha,5aalpha,8alpha,8aalpha,8bbeta)]-Octahydro-5a-methyl-8-(1-methylethyl)-2H-naphtho[1,8-bc]furan-2a,5(3H)-diol		 86.84
C00013044 Arbusculin C
[3aS-(3aalpha,5abeta,9aalpha,9bbeta)]-Decahydro-9a-hydroxy-5a-methyl-3,9-bis(methylene)naphtho[1,2-b]furan-2(3H)-one		 86.84
C00016696 Cheimonophyllon C 86.84
C00017332 [3aR-(3aalpha,4abeta,5beta,6beta,9aalpha)]-3a,4,4a,5,6,7,8,9a-Octahydro-6-hydroxy-4a,5-dimethyl-3-methylene-naphtho[2,3-b]furan-2(3H)-one 86.84
C00017434 6beta-Hydroxy-9,10-didehydrofuranoeremophilan-1-one 86.84
C00020260 7beta-Hydroxydihydrodrimenin 86.84
C00020261 7-Oxodihydrodrimenin 86.84
C00020267 Uvidin A 86.84
C00020268 Uvidin C 86.84
C00020280 Albrassitriol 86.84
C00020718 1alpha-Hydroxy-11beta,13-dihydrokauniolide 86.84
C00020722 4alpha-Hydroxyguaia-10(14),11(13)-dien-12,6a-olide 86.84
C00020723 Compressanolide 86.84
C00020728 Trifloculoside 86.84
C00020781 8-Deoxyrupicolin A 86.84
C00021140 Dihydroconfertin 86.84
C00021318 Longipin-2-ene-7beta,9alpha-diol-1-one 86.84
C00021395 Pallinol 86.84
C00021405 Lapidol 86.84
C00021468 Illudol 86.84
C00021469 3-epi-Illudol 86.84
C00021525 Blennin A 86.84
C00021551 Piperalol 86.84
C00021552 8-Epipipertriol 86.84
C00021713 1-Hydroxymirabolide 86.84
C00021892 3(12)-Gymnomitren-15-oic acid 86.84
C00023731 Arthrosporol 86.84
C00033538 1beta,4beta,7alpha-Trihydroxyeudesmane
(-)-1beta,4beta,7alpha-Trihydroxyeudesmane		 86.84
C00033921 Hugonianene B
(-)-Hugonianene B		 86.84
C00036689 Acutifolone B 86.84
C00036906 CID is old! 86.84
C00037298 Illudiolone
(+)-Illudiolone		 86.84
C00037925 trans,trans-Xanthoxin 86.84
C00038342 9-Oxo-2beta-methoxyclovane
(-)-9-Oxo-2beta-methoxyclovane		 86.84
C00043074 Tinocordifolin
(+)-Tinocordifolin		 86.84
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