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ent-11beta-hydroxycassa-12,15-diene

PropertiesImage
MNX_IDMNXM5736 Image of MNXM5736
referencechebi:63662
formulaC20H32O
global charge0
mol weight288.475
InChIKeyQVNGTMWSHFUMFR-UKQDEDAGSA-N
InChIInChI=1S/C20H32O/c1-6-14-12-16(21)18-15(13(14)2)8-9-17-19(3,4)10-7-11-20(17,18)5/h6,12-13,15-18,21H,1,7-11H2,2-5H3/t13-,15-,16-,17-,18+,20-/m1/s1
SMILESC=CC1=C[C@@H](O)[C@@H]2[C@H](CC[C@@H]3C(C)(C)CCC[C@@]23C)[C@@H]1C
MNX internals
InChI (mnx)InChI=1/C20H32O/c1-6-14-12-16(21)18-15(13(14)2)8-9-17-19(3,4)10-7-11-20(17,18)5/h6,12-13,15-18,21H,1,7-11H2,2-5H3/t13-,15-,16-,17-,18+,20-/m1/s1 Image of MNXM5736
SMILES (mnx)[CH2:1]=[CH:6][C:14]1=[CH:12][C@@H:16]([OH:21])[C@@H:18]2[C@H:15]([CH2:8][CH2:9][C@@H:17]3[C:19]([CH3:3])([CH3:4])[CH2:10][CH2:7][CH2:11][C@:20]32[CH3:5])[C@@H:13]1[CH3:2]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:63662
chebi:63662
QVNGTMWSHFUMFR-UKQDEDAGSA-N 		ent-11beta-hydroxycassa-12,15-diene
11alpha-hydroxy-ent-cassa-12,15-diene
13-ethenyl-14beta-methyl-5beta,8alpha,9beta,10alpha-podocarp-12-en-11alpha-ol

kegg.compound:C20150
keggC:C20150
QVNGTMWSHFUMFR-UKQDEDAGSA-N 		ent-11beta-Hydroxycassa-12,15-diene

seed.compound:cpd21383
seedM:cpd21383
QVNGTMWSHFUMFR-UKQDEDAGSA-N 		ent-11beta-Hydroxycassa-12,15-diene
ent-11beta-hydroxy-ent-cassa-12,15-diene
ent-11beta-hydroxycassa-12,15-diene

metacyc.compound:CPD-13924
metacycM:CPD-13924
QVNGTMWSHFUMFR-UKQDEDAGSA-N 		ent-11beta-hydroxy-ent-cassa-12,15-diene

keggC:M_C20150
seedM:M_cpd21383 		secondary/obsolete/fantasy identifier