input word = C00014698

Metabolite InformationStructural formula
Name 2,3,2'',3''-Tetrahydrodicranolomin
Formula C30H22O12
Mw 574.11112617
CAS RN 330814-18-1
C_ID C00014698 ,
InChIKey KRTHOCKSFHRXFO-XHEJRLEYNA-N
InChICode InChI=1S/C30H22O12/c31-12-6-17(35)26-18(36)9-22(42-23(26)7-12)13-2-4-15(33)29(39)25(13)28-20(38)10-24-27(30(28)40)19(37)8-21(41-24)11-1-3-14(32)16(34)5-11/h1-7,10,21-22,31-35,38-40H,8-9H2/t21-,22-/m0/s1
SMILES O=C1C[C@@H](c2ccc(O)c(O)c2-c2c(O)cc3c(c2O)C(=O)C[C@@H](c2ccc(O)c(O)c2)O3)Oc2cc(O)cc(O)c21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Pilotrichella flexilis Ref.
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