Marvin  06171312472D          

 24 26  0  0  1  0            999 V2000
   14.4875  -18.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3098  -18.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0711  -19.1078    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7158  -19.1078    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.4875  -19.8260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3098  -19.8260    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.3648  -20.4401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9462  -18.7643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9462  -19.5971    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.2385  -18.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2385  -20.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5202  -18.7643    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.5202  -19.5971    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.9552  -17.9222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8124  -17.9222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0711  -17.6817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0080  -20.4922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5306  -20.2944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2498  -19.1044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6610  -20.0089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4302  -18.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4302  -19.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5239  -17.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2396  -20.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  1 16  1  0  0  0  0
  4  2  1  0  0  0  0
 14  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  6 17  1  1  0  0  0
 13  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 13 12  1  0  0  0  0
 15 12  1  0  0  0  0
 13 18  1  6  0  0  0
 15 14  1  0  0  0  0
  3 19  1  6  0  0  0
  9 20  1  6  0  0  0
  4 21  1  6  0  0  0
  4 22  1  1  0  0  0
 12 23  1  1  0  0  0
 11 24  2  0  0  0  0
M  END
> <ID>
CHEBI:30041

> <NAME>
taxa-4(20),11-dien-5alpha,13alpha-diol

> <DEFINITION>
A taxane diterpenoid that is taxane which contains double bounds at the 4-20 and 11-12 positions and which is substituted by hydroxy groups at the 5α and 13α positions.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:29682; CHEBI:15202; CHEBI:58625

> <SYNONYM>
taxa-4(20),11-dien-5-alpha,13-alpha-diol; taxa-4(20),11(12)-dien-5alpha,13alpha-diol; Taxa-4(20),11(12)-dien-5alpha,13alpha-diol

> <IUPAC_NAME>
(5alpha,13alpha)-taxa-4(20),11-diene-5,13-diol

> <FORMULA>
C20H32O2; C20H32O2

> <MASS>
304.46690

> <MONOISOTOPIC_MASS>
304.24023

> <CHARGE>
0

> <SMILES>
[H][C@]12C[C@H](O)C(C)=C(CC[C@]3(C)CC[C@H](O)C(=C)[C@@]3([H])C1)C2(C)C

> <INCHI>
InChI=1S/C20H32O2/c1-12-15-6-8-20(5)9-7-17(21)13(2)16(20)10-14(11-18(12)22)19(15,3)4/h14,16-18,21-22H,2,6-11H2,1,3-5H3/t14-,16-,17+,18+,20-/m1/s1

> <INCHIKEY>
VTDWDDILICLAEK-RDGCENLJSA-N

> <CAS_REGISTRY_NUMBER>
357436-25-0

> <KEGG_COMPOUND_ACCESSION>
C11897

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPR0104390005

> <METACYC_ACCESSION>
TAXA-42011-DIEN-5A13A-DIOL

$$$$