Summary
SMILES: O=Cc1c2O[C@@]3(C)CC/C=C(C)/CC[C@@H]4[C@H]([C@@H]3[C@H](c2c(c(c1O)C=O)O)CC(C)C)C4(C)CInChI: InChI=1S/C28H38O5/c1-15(2)12-17-21-25(32)18(13-29)24(31)19(14-30)26(21)33-28(6)11-7-8-16(3)9-10-20-23(22(17)28)27(20,4)5/h8,13-15,17,20,22-23,31-32H,7,9-12H2,1-6H3/b16-8+/t17-,20+,22-,23+,28-/m0/s1InChIKey: XJFLMCYKZVYATJ-VTQRZBSASA-N
DeepSMILES: O=CccO[C@@]C)CC/C=CC)/CC[C@@H][C@H][C@@H]%10[C@H]c%14ccc%18O))C=O)))O)))CCC)C)))))C3C)C
Scaffold Graph/Node/Bond level: C1=CCCC2Oc3ccccc3CC2C2CC2CC1
Scaffold Graph/Node level: C1CCCC2OC3CCCCC3CC2C2CC2CC1
Scaffold Graph level: C1CCCC2CC2C2CC3CCCCC3CC2CC1
Functional groups: C/C=C(/C)C; cC=O; cO; cOC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Organoheterocyclic compoundsClassyFire Class: Benzopyrans
ClassyFire Subclass: 1-benzopyrans
NP Classifier Biosynthetic pathway: Polyketides|Terpenoids
NP Classifier Superclass: Phloroglucinols
NP Classifier Class: Phloroglucinol-terpene hybrids
Synonymous chemical names:euglobal ivb
Chemical structure download