input word = C00003649

Metabolite InformationStructural formula
Name Cyasterone
Formula C29H44O8
Mw 520.30361838
CAS RN 17086-76-9
C_ID C00003649 ,
InChIKey NEFYSBQJYCICOG-FLBQNWAFNA-N
InChICode InChI=1S/C29H44O8/c1-14-16(15(2)37-25(14)34)10-24(33)28(5,35)23-7-9-29(36)18-11-20(30)19-12-21(31)22(32)13-26(19,3)17(18)6-8-27(23,29)4/h11,14-17,19,21-24,31-33,35-36H,6-10,12-13H2,1-5H3/t14-,15+,16-,17-,19-,21+,22-,23-,24+,26+,27+,28+,29+/m0/s1
SMILES [C@H]1([C@@H](C[C@@H]2[C@](C1)([C@@H]1C(=CC2=O)[C@]2([C@](CC1)([C@H](CC2)[C@]([C@@H](C[C@H]1[C@@H](C(=O)O[C@@H]1C)C)O)(O)C)C)O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaeCyathula capitata Monquim-Tandon Ref.
PlantaeLabiataeAjuga chamaepitys Ref.
PlantaeLabiataeAjuga decumbens Ref.
PlantaeLabiataeAjuga reptans Ref.
PlantaeLabiataeAjuga taiwanensis Ref.
PlantaeLabiataeAjuga turkestanica Ref.
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